Sabiporide

Sabiporide

SCHEMBL4901735

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

nearest known ligand 0.96

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 6)

geneUniProtsupporting neighboursconfidence
KCNH2 known ✓ Q12809 1/20 0.47
SLC9A1 P19634 20/20 0.96
CYP2C19 P33261 8/20 0.96
CYP3A4 P08684 5/20 0.96
CYP2C9 P11712 9/20 0.49
CYP2D6 P10635 3/20 0.48

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 SCHEMBL1286649 0.99 SLC9A1 (0.98) SLC9A1CYP2C19CYP3A4CYP2C9CYP2D6
Sabiporide SCHEMBL1286663 0.98 SLC9A1 (1.00) SLC9A1CYP2C19CYP3A4CYP2C9CYP2D6
Sabiporide SCHEMBL27472449 0.93 SLC9A1 (0.89) SLC9A1CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL14491835 0.90 SLC9A1 (0.85) SLC9A1CYP2C19CYP3A4CYP2C9CYP2D6
SCHEMBL5950962 0.83 SLC9A1 (0.73) SLC9A1CYP2C19CYP3A4CYP2C9
SCHEMBL6137374 0.83 SLC9A1 (0.73) SLC9A1CYP2C19CYP3A4CYP2C9CYP2D6
Sabiporide SCHEMBL4901732 0.83 SLC9A1 (0.68) SLC9A1CYP2C19CYP3A4
Sabiporide SCHEMBL1286645 0.82 SLC9A1 (0.69) SLC9A1CYP2C19CYP3A4
SCHEMBL6137426 0.82 SLC9A1 (0.71) SLC9A1CYP2C19CYP3A4CYP2C9CYP2D6
Sabiporide SCHEMBL29385812 0.81 SLC9A1 (0.70) SLC9A1CYP2C19CYP3A4

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070135446-A1 Benzoylguanidlne salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-06-14 US disclosed
US-20060217396-A1 Benzoylguanidine salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-28 US disclosed
US-20050043320-A1 Benzoylguanidine salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 US disclosed
US-20040122019-A1 Benzoylguanidine salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-06-24 US disclosed
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 disclosed
US-20020137753-A1 Benzoylguanidine salt and hydrates thereof BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-26 US 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 (7 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 KCNH2 125/4885SLC9A1 1/4885CYP2C19 401/4885
US-20070135446-A1 Benzoylguanidlne salt and hydrates thereof SLC9A1, SLC9A2, SLC5A1 KCNH2 178/4885SLC9A1 1/4885CYP2C19 907/4885
US-20080241077-A1 BENZOYLGUANIDINE SALT AND HYDRATES THEREOF SLC9A1, SLC9A2, SLC9A3 KCNH2 125/4885SLC9A1 1/4885CYP2C19 401/4885
US-20050043320-A1 Benzoylguanidine salt and hydrates thereof SLC9A1, SLC9A2, SLC9A3 KCNH2 125/4885SLC9A1 1/4885CYP2C19 401/4885
US-20020137753-A1 Benzoylguanidine salt and hydrates thereof SLC9A1, SLC9A3, SLC9A2 KCNH2 137/4885SLC9A1 1/4885CYP2C19 507/4885
US-20060217396-A1 Benzoylguanidine salt and hydrates thereof SLC9A1, SLC9A2, SLC9A3 KCNH2 125/4885SLC9A1 1/4885CYP2C19 401/4885
US-20040122019-A1 Benzoylguanidine salt and hydrates thereof SLC9A1, SLC9A3, SLC9A2 KCNH2 137/4885SLC9A1 1/4885CYP2C19 507/4885

“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.