SCHEMBL221981

SCHEMBL221981

O=[C]c1nc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
IDO1 P14902 1/20 0.50
PSMB8 P28062 1/20 0.48
PSMB5 P28074 1/20 0.48
ALOX15 P16050 2/20 0.48
ADRA2A P08913 1/20 0.48
FBP1 P09467 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
DRD2 P14416 1/20 0.48
HPGD P15428 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
DRD1 P21728 1/20 0.48
MC5R P33032 1/20 0.48
OPRM1 P35372 1/20 0.48
DRD3 P35462 1/20 0.48
OPRK1 P41145 1/20 0.48
CCR2 P41597 1/20 0.48
HTR6 P50406 1/20 0.48
SLC6A3 Q01959 1/20 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
SCHEMBL29800442 0.79 IDO1 (0.50) ALDH1A1IDO1PSMB8PSMB5ALOX15
SCHEMBL3096380 0.79 IDO1 (0.50) ALDH1A1IDO1PSMB8PSMB5ALOX15
SCHEMBL492446 0.79 PSMB8 (0.53) ALDH1A1IDO1PSMB8PSMB5ALOX15
SCHEMBL15874315 0.79 IDO1 (0.50) ALDH1A1IDO1PSMB8PSMB5ALOX15
SCHEMBL719079 0.79 IDO1 (0.50) ALDH1A1IDO1PSMB8PSMB5ALOX15
SCHEMBL5092877 0.79 IDO1 (0.50) ALDH1A1IDO1PSMB8PSMB5ALOX15
SCHEMBL30938811 0.79 PSMB8 (0.53) ALDH1A1IDO1PSMB8PSMB5ALOX15
SCHEMBL1436096 0.78 IDO1 (0.48) ALDH1A1IDO1PSMB8PSMB5ALOX15
SCHEMBL543953 0.75 IDO1 (0.59) ALDH1A1IDO1HPGDADORA1DYRK1A
SCHEMBL9187493 0.73 IDO1 (0.44) ALDH1A1IDO1ALOX15ADRA2AFBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332464-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2022-05-17 US claimed
US-20210017167-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2021-01-21 US claimed
CN-111349053-A Inhibitors of lysine porphyromonas gingivalis protease 库特克希米公司 2020-06-30 CN claimed
US-10301301-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2019-05-28 US claimed
US-20180346460-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-12-06 US claimed
US-20180334440-A1 INHIBITORS OF ARGININE GINGIPAIN Cortexyme, Inc. (US) 2018-11-22 US claimed
EP-3374352-A1 INHIBITORS OF ARGININE GINGIPAIN Cortexyme, Inc. (US) 2018-09-19 EP claimed
US-9988375-B2 Inhibitors of lysine gingipain Cortexyme, Inc. (US) 2018-06-05 US claimed
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 US claimed
US-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2017-12-07 US claimed
US-7141596-B2 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION (US) 2006-11-28 US claimed
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules INCYTE CORPORATION 2005-12-08 US claimed
US-6908926-B1 Substituted imidazoles, their preparation and use NOVO NORDISK A/S (DK) 2005-06-21 US claimed
WO-2005035551-A2 INHIBITORS OF PROTEINS THAT BIND PHOSPHORYLATED MOLECULES INCYTE CORPORATION (US) 2005-04-21 WO claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
US-6710056-B2 PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVE AN EXCELLENT ANTAGONISTIC EFFECT AGAINST ACTIVATED BLOOD COAGULATION FACTOR VII. AJINOMOTO CO., INC. (JP) 2004-03-23 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
US-20030109547-A1 Amidinophenylpyruvic acid derivatives AJINOMOTO CO. INC (JP) 2003-06-12 US claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
EP-1236712-A1 AMIDINOPHENYLPYRUVIC ACID DERIVATIVE Ajinomoto Co., Inc. (JP) 2002-09-04 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 (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-20180346460-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ALDH1A1 2355/4885IDO1 1579/4885PSMB8 2868/4885
US-20030109547-A1 Amidinophenylpyruvic acid derivatives HABP2, F2, F7 ALDH1A1 622/4885IDO1 3141/4885PSMB8 3381/4885
US-20210017167-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ALDH1A1 2355/4885IDO1 1579/4885PSMB8 2868/4885
US-20050272778-A1 Inhibitors of proteins that bind phosphorylated molecules PPP3CA, PPP5C, PPM1A ALDH1A1 4716/4885IDO1 4185/4885PSMB8 1288/4885
US-20170349537-A1 INHIBITORS OF LYSINE GINGIPAIN ENPEP, PHYKPL, PREP ALDH1A1 2355/4885IDO1 1579/4885PSMB8 2868/4885
US-11332464-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP ALDH1A1 2355/4885IDO1 1579/4885PSMB8 2868/4885
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE ALDH1A1 4046/4885IDO1 3719/4885PSMB8 571/4885
US-10301301-B2 Inhibitors of lysine gingipain ENPEP, PHYKPL, PREP ALDH1A1 2355/4885IDO1 1579/4885PSMB8 2868/4885
US-20180334440-A1 INHIBITORS OF ARGININE GINGIPAIN ARGLU1, ENPEP, PRAP1 ALDH1A1 2785/4885IDO1 1265/4885PSMB8 4385/4885

“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.