SCHEMBL889058

SCHEMBL889058

C=Cc1ccc2[nH]c(C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
MAPT P10636 6/20 0.40
POLB P06746 5/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
RAB9A P51151 4/20 0.40
MEN1 O00255 3/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.39
HSP90AA1 P07900 1/20 0.39
ESR2 Q92731 1/20 0.39
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
IP6K1 Q92551 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL889055 0.82 CYP2A6 (0.44) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL18738474 0.80 ALDH1A1 (0.35) ALDH1A1MAPTPOLBKDM4ERAB9A
SCHEMBL19364799 0.79 TYMS (0.36) ALDH1A1MAPTTYMS
SCHEMBL28337561 0.78 SMN1; SMN2 (0.47) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL8595184 0.77 MAPT (0.44) ALDH1A1MAPTKDM4EHPGDRAB9A
SCHEMBL10053730 0.76 IP6K1 (0.43) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL25457211 0.75 RAB9A (0.53) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL12540 0.75 ALDH1A1 (0.50) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL889003 0.75 ALDH1A1 (0.40) ALDH1A1MAPTPOLBKDM4EHPGD
SCHEMBL28337562 0.75 KMT2A (0.50) ALDH1A1MAPTPOLBRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107974143-B Corrosion-resistant glass flake resin 江苏罗门扬环保工程有限公司 2019-12-20 CN disclosed
US-10017499-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2018-07-10 US disclosed
CN-107974143-A Corrosion-resistant glass resin flake 江苏罗门扬环保工程有限公司 2018-05-01 CN disclosed
US-9765087-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2017-09-19 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-9156818-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-10-13 US disclosed
US-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-8933110-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-13 US disclosed
US-8927709-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-01-06 US disclosed
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. (US) 2014-11-20 US disclosed
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-01-13 US disclosed
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-16 US disclosed
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2010-09-02 US disclosed
EP-1464486-B1 Lithographic printing method and presensitized plate FUJIFILM CORP (JP) 2009-06-17 EP disclosed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-7470712-B2 Amino-benzazoles as P2Y1 receptor inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 US disclosed
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 US disclosed
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS BRISTOL-MYERS SQUIBB COMPANY 2008-11-06 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 (9 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885MAPT 4471/4885POLB 381/4885
US-20100233122-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885MAPT 4471/4885POLB 381/4885
US-20100316607-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885MAPT 4133/4885POLB 682/4885
US-20100221215-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALDH1A1 287/4885MAPT 4073/4885POLB 397/4885
US-10017499-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L ALDH1A1 132/4885MAPT 4391/4885POLB 460/4885
US-20110008288-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 365/4885MAPT 4133/4885POLB 682/4885
US-20100221214-A1 LINKED DIBENZIMIDAZOLE DERIVATIVES EIF2AK2, NSUN2, ZC3HAV1 ALDH1A1 287/4885MAPT 4073/4885POLB 397/4885
US-20140341851-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 ALDH1A1 201/4885MAPT 4471/4885POLB 381/4885
US-20080275090-A1 AMINO-BENZAZOLES AS P2Y1 RECEPTOR INHIBITORS WITH PYRIDINE RING AND HETEROCYCLIC COMPONENTS P2RY1, P2RY11, P2RY2 ALDH1A1 1823/4885MAPT 4033/4885POLB 4384/4885

“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.