SCHEMBL176807

SCHEMBL176807

NC(=O)C[CH]c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 2/20 0.47
ALDH1A1 P00352 4/20 0.44
CYP2A6 P11509 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.41
RECQL P46063 2/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 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
SCHEMBL7380387 0.83 TRIM24 (0.50) HDAC1
SCHEMBL3290030 0.83 PAM (0.44) PAMALDH1A1CYP2A6HTTMAPT
SCHEMBL1822585 0.81 PAM (0.61) PAMALDH1A1CYP2A6MAPTRECQL
SCHEMBL3923075 0.78 PAM (0.70) PAMALDH1A1HTTMAPTRECQL
SCHEMBL3087230 0.78 JUN (0.45) ALDH1A1CYP2A6CYP1A2CYP2D6CYP2C9
SCHEMBL15157265 0.78 CYP2A6 (0.48) ALDH1A1CYP2A6HTTMAPTLMNA
SCHEMBL2676618 0.78 HSD11B1 (0.45) ALDH1A1MAPTLMNACYP1A2CYP2C9
SCHEMBL3161596 0.78 SMN1; SMN2 (0.46) MAPTLMNASMN1; SMN2NPSR1
SCHEMBL5329189 0.78 ALDH1A1 (0.41) PAMALDH1A1CYP2A6HTTMAPT
SCHEMBL5680262 0.78 PAM (0.70) PAMALDH1A1HTTMAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-9884860-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2018-02-06 US claimed
EP-2809669-B1 FUSED PYRROLEDICARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2017-02-01 EP claimed
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US claimed
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals SANOFI (FR) 2016-06-09 US claimed
US-9284333-B2 Fused pyrroledicarboxamides and their use as pharmaceuticals SANOFI (FR) 2016-03-15 US claimed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US claimed
EP-2907804-A1 Novel 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and in cosmetics Galderma Research & Development (FR) 2015-08-19 EP claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
US-8993596-B2 4-(azacycloalkyl)benzene-1,3-diol compounds as tyrosinase inhibitors, process for the preparation thereof and use thereof in human medicine and in cosmetics GALDERMA RESEARCH & DEVELOPMENT (FR) 2015-03-31 US claimed
EP-1659120-A1 3-substituted quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GlaxoSmithKline S.p.A. (IT) 2006-05-24 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-1567507-A1 1,2,3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-08-31 EP claimed
US-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2004-09-16 US claimed
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US claimed
WO-2004050642-A1 1, 2, 3- TRIAZOLE AMIDE DERIVATIVES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-06-17 WO claimed
US-20040102492-A1 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-27 US claimed
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B RUGGERI ROGER (US) 2002-09-19 US claimed
US-6369075-B1 7[4′-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and method of inhibiting the secretion of apolipoprotein B PFIZER, INC. 2002-04-09 US claimed
EP-1099701-A1 7-[(4'-Trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B Pfizer Products Inc. (US) 2001-05-16 EP claimed

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

For each of this compound's patents that has machine-readable text (4 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-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists HRH4, HRH2, HRH3 PAM 1132/4885ALDH1A1 3625/4885CYP2A6 3255/4885
US-20040102492-A1 Cytokine inhibitors IL1A, IL1B, IL1RN PAM 4488/4885ALDH1A1 272/4885CYP2A6 609/4885
US-20020132806-A1 7-[(4'-trifluoromethyl-biphenyl-2-carbonyl)amino]-quinoline-3-carboxylic acid amides, and methods of inhibiting the secretion of apolipoprotein B APOB, CETP, PNLIP PAM 1248/4885ALDH1A1 752/4885CYP2A6 626/4885
US-20160159793-A1 Fused Pyrroledicarboxamides and Their Use as Pharmaceuticals KCNA1, KCNE1, KCNH1 PAM 1688/4885ALDH1A1 716/4885CYP2A6 1091/4885

“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.