Sabiporide

Sabiporide

SCHEMBL1286645

Cl.N=C(N)NC(=O)c1ccc(N2CCN(C(=O)c3ccc[nH]3)CC2)c(C(F)(F)F)c1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Sabiporide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 1/20 0.41
SLC9A1 P19634 5/20 0.69
CYP3A4 P08684 1/20 0.69
CYP2C19 P33261 1/20 0.69
HPGDS O60760 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
NPY2R P49146 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Sabiporide SCHEMBL4901732 0.99 SLC9A1 (0.68) SLC9A1CYP3A4CYP2C19HPGDSCA12
Sabiporide SCHEMBL29385812 0.99 SLC9A1 (0.70) SLC9A1CYP3A4CYP2C19HPGDSCA12
Sabiporide SCHEMBL1286662 0.99 SLC9A1 (0.70) SLC9A1CYP3A4CYP2C19HPGDSCA12
Sabiporide SCHEMBL5950959 0.95 SLC9A1 (0.65) SLC9A1CYP3A4CYP2C19HPGDSCA12
Hydrochloric Acid SCHEMBL6137232 0.86 NPY2R (0.55) SLC9A1CYP3A4CYP2C19NPY2R
SCHEMBL6137414 0.83 SLC9A1 (0.48) SLC9A1CYP3A4CYP2C19NPY2R
Hydrochloric Acid SCHEMBL6137329 0.83 NPY2R (0.51) SLC9A1CYP3A4CYP2C19NPY2R
Sabiporide SCHEMBL1286649 0.83 SLC9A1 (0.98) SLC9A1CYP3A4CYP2C19
SCHEMBL1763885 0.82 SLC9A1 (0.71) SLC9A1CYP3A4CYP2C19
Sabiporide SCHEMBL4901735 0.82 SLC9A1 (0.96) SLC9A1CYP3A4CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080241077-A1 BENZOYLGUANIDINE SALT AND HYDRATES THEREOF EICKMEIER CHRISTIAN 2008-10-02 US claimed
US-20080025919-A1 BENZOYLGUANIDINE SALT AND HYDRATES THEREOF EICKMEIER CHRISTIAN 2008-01-31 US claimed
US-20070135446-A1 Benzoylguanidlne salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-14 US claimed
US-20060217396-A1 Benzoylguanidine salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-28 US claimed
US-20050043320-A1 Benzoylguanidine salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 US claimed
US-20040122019-A1 Benzoylguanidine salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US claimed
US-6730678-B2 4-(4-(2-PYRROLYLCARBONYL)-1-PIPERAZINYL)-3-TRIFLUOROMETHYLBENZ OYL GUANIDINE HYDROCHLORIDE AS SODIUM CHANNEL MODULATORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-05-04 US claimed
CN-1491213-A Novel benzoylguanidine salt ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-21 CN claimed
US-20020137753-A1 Benzoylguanidine salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-26 US claimed
EP-1362030-B1 NOVEL BENZOYLGUANIDINE SALT BOEHRINGER INGELHEIM PHARMA (DE) 2012-04-11 EP disclosed
JP-2009235097-A NEW BENZOYLGUANIDINE SALT BOEHRINGER INGELHEIM PHARMA GMBH & CO KG 2009-10-15 JP disclosed
US-20080241077-A1 BENZOYLGUANIDINE SALT AND HYDRATES THEREOF EICKMEIER CHRISTIAN 2008-10-02 US disclosed
US-20080241077-A1 BENZOYLGUANIDINE SALT AND HYDRATES THEREOF EICKMEIER CHRISTIAN 2008-10-02 US disclosed
US-20080025919-A1 BENZOYLGUANIDINE SALT AND HYDRATES THEREOF EICKMEIER CHRISTIAN 2008-01-31 US disclosed
US-20030069207-A1 Tolerance of 4-(4-(2-pyrrolylcarbonyl)-1-piperazinyl)-3-trifluoromethyl-benzoylguanidine in intravenous administration BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-10 US disclosed
WO-2003022281-A1 IMPROVEMENT OF THE LOCAL COMPATIBILITY DURING INTRAVENOUS ADMINISTRATION OF 4-(4-(2-PYRROLYLCARBONYL)-1-PIPERAZINYL)-3-TRIFLUORMETHYL-BENZOYLGUANIDINE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-03-20 WO disclosed
US-20020137753-A1 Benzoylguanidine salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-26 US disclosed
US-20020137753-A1 Benzoylguanidine salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-26 US disclosed
WO-2002064563-A1 NOVEL BENZOYLGUANIDINE SALT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 WO disclosed
WO-2002064563-A1 NOVEL BENZOYLGUANIDINE SALT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080025919-A1 BENZOYLGUANIDINE SALT AND HYDRATES THEREOF SLC9A1, SLC9A2, SLC9A3 CA2 244/4885SLC9A1 1/4885CYP3A4 1789/4885
US-20070135446-A1 Benzoylguanidlne salt and hydrates thereof SLC9A1, SLC9A2, SLC5A1 CA2 179/4885SLC9A1 1/4885CYP3A4 2882/4885
US-20030069207-A1 Tolerance of 4-(4-(2-pyrrolylcarbonyl)-1-piperazinyl)-3-trifluoromethyl-benzoylguanidine in intravenous administration GIPR, SLC11A2, SLC10A2 CA2 2494/4885SLC9A1 654/4885CYP3A4 127/4885
US-20080241077-A1 BENZOYLGUANIDINE SALT AND HYDRATES THEREOF SLC9A1, SLC9A2, SLC9A3 CA2 244/4885SLC9A1 1/4885CYP3A4 1789/4885
US-20050043320-A1 Benzoylguanidine salt and hydrates thereof SLC9A1, SLC9A2, SLC9A3 CA2 244/4885SLC9A1 1/4885CYP3A4 1789/4885
US-20020137753-A1 Benzoylguanidine salt and hydrates thereof SLC9A1, SLC9A3, SLC9A2 CA2 320/4885SLC9A1 1/4885CYP3A4 2281/4885
US-20060217396-A1 Benzoylguanidine salt and hydrates thereof SLC9A1, SLC9A2, SLC9A3 CA2 244/4885SLC9A1 1/4885CYP3A4 1789/4885
US-20040122019-A1 Benzoylguanidine salt and hydrates thereof SLC9A1, SLC9A3, SLC9A2 CA2 320/4885SLC9A1 1/4885CYP3A4 2281/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.