Benzimidazole

Benzimidazole

SCHEMBL3540518

CCN.Cl.Cl.c1ccc2[nH]cnc2c1

nearest known ligand 0.47

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Known targets — ChEMBL curated mechanism

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

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

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI known ✓ P41743 1/20 0.44
PARP1 known ✓ P09874 1/20 0.40
DPP4 known ✓ P27487 1/20 0.38
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
RAD52 P43351 1/20 0.47
MMP12 P39900 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
PDPK1 O15530 1/20 0.40
CA12 O43570 1/20 0.40
ALOX15 P16050 1/20 0.40
CA9 Q16790 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
CTNNB1 P35222 1/20 0.40
WNT3A P56704 1/20 0.40
ALDH1A1 P00352 3/20 0.39
QPCT Q16769 3/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39

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
Benzimidazole SCHEMBL2540653 0.98 PRKCI (0.46) KDM4EMAPTRAD52PRKCIMMP12
Benzimidazole SCHEMBL3181865 0.90 MMP12 (0.44) KDM4EMAPTRAD52PRKCIMMP12
Benzimidazole SCHEMBL8010735 0.90 MMP12 (0.44) KDM4EMAPTRAD52PRKCIMMP12
Benzimidazole SCHEMBL29285060 0.88 MMP12 (0.43) KDM4EMAPTRAD52PRKCIMMP12
Benzimidazole SCHEMBL28285799 0.88 PRKCI (0.50) KDM4EMAPTRAD52PRKCIMMP12
Benzimidazole SCHEMBL1438443 0.88 KDM4E (0.52) KDM4EMAPTRAD52PRKCIMMP12
Benzimidazole SCHEMBL1299247 0.88 KDM4E (0.52) KDM4EMAPTRAD52PRKCIMMP12
Benzimidazole SCHEMBL29489773 0.88 KDM4E (0.52) KDM4EMAPTRAD52PRKCIMMP12
Benzimidazole SCHEMBL28701757 0.88 KDM4E (0.52) KDM4EMAPTRAD52PRKCIMMP12
Benzimidazole SCHEMBL28745352 0.88 KDM4E (0.52) KDM4EMAPTRAD52PRKCIMMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705031-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-27 US disclosed
US-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2008-12-11 US disclosed
US-7309716-B2 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-18 US disclosed
CN-1902181-A Benzimidazoles useful as modulators of ion channels VERTEX PHARMA (US) 2007-01-24 CN disclosed
EP-1678145-A2 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2006-07-12 EP disclosed
US-20050209282-A1 Benzimidazoles useful as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2005-09-22 US disclosed
WO-2005042497-A2 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS, INCORPORATED (US) 2005-05-12 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 (2 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-20050209282-A1 Benzimidazoles useful as modulators of ion channels KCNJ11, KCNJ1, KCNJ2 PRKCI 1004/4885PARP1 3778/4885DPP4 2750/4885
US-20080306129-A1 BENZIMIDAZOLES USEFUL AS MODULATORS OF ION CHANNELS KCNJ11, KCNJ1, KCNJ2 PRKCI 1004/4885PARP1 3778/4885DPP4 2750/4885

“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.