SCHEMBL1332822

SCHEMBL1332822

NC(CO)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.40
TDO2 P48775 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
GAA P10253 2/20 0.40
CNR2 P34972 2/20 0.39
CYP3A4 P08684 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
MGAM O43451 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
OPRK1 P41145 2/20 0.34
OPRL1 P41146 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GNRHR P30968 1/20 0.33

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
SCHEMBL25445030 1.00 IDO1 (0.40) IDO1TDO2CES2CES1GAA
SCHEMBL14670418 1.00 IDO1 (0.40) IDO1TDO2CES2CES1GAA
SCHEMBL29375829 1.00 IDO1 (0.40) IDO1TDO2CES2CES1GAA
Hydrochloric Acid SCHEMBL27164832 0.98 IDO1 (0.43) IDO1TDO2CES2CES1GAA
Hydrochloric Acid SCHEMBL1440386 0.98 IDO1 (0.43) IDO1TDO2CES2CES1GAA
Hydrochloric Acid SCHEMBL1440383 0.98 IDO1 (0.43) IDO1TDO2CES2CES1GAA
SCHEMBL10216982 0.83 CES2 (0.43) CES2CES1
SCHEMBL29168258 0.83 CES2 (0.43) CES2CES1
SCHEMBL3385586 0.83 IDO1 (0.41) IDO1TDO2CES2CES1GAA
SCHEMBL20445808 0.83 IDO1 (0.41) IDO1TDO2CES2CES1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363906-B1 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMA (US) 2015-07-15 EP claimed
EP-1917006-A2 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT Patent & Licence Trading Ltd. (GB) 2008-05-07 EP claimed
WO-2006136454-A2 USE OF INHIBITORS OF N-METHYL TRANSFERASES FOR THE THERAPY OF PARKINSON'S DISEASE PLT PATENT & LICENCE TRADING LTD. (GB) 2006-12-28 WO claimed
US-6743791-B2 ANTICANCER AGENTS; ANTIINFLAMMATORY AGENTS VERTEX PHARMACEUTICALS INCORPORATED 2004-06-01 US claimed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP claimed
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2003-05-15 US claimed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 WO claimed
US-12528819-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2026-01-20 US disclosed
US-12291535-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment AGENEBIO, INC. (US) 2025-05-06 US disclosed
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES CILAG AG (CH) 2024-05-30 US disclosed
CN-112601749-B Benzodiazepine derivatives, compositions and methods for treating cognitive impairment 艾吉因生物股份有限公司 2024-03-26 CN disclosed
CN-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 CN disclosed
EP-4284802-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES Janssen Biotech, Inc. (US) 2023-12-06 EP disclosed
US-20050282880-A1 Novel 1H-indazole compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-12-22 US disclosed
US-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-11-18 US disclosed
CN-1512987-A Novel 1H-indazole compound ������������ʽ���� 2004-07-14 CN disclosed
US-20040127538-A1 Novel 1h-indazole compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-07-01 US disclosed
EP-1380576-A1 NOVEL 1H-INDAZOLE COMPOUND Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed
EP-1363906-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-11-26 EP disclosed
WO-2002064586-A2 HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-08-22 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 (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-20040229875-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 IDO1 1865/4885TDO2 2507/4885CES2 4025/4885
US-20040127538-A1 Novel 1h-indazole compound MAPK1, MAPK14, MAPK3 IDO1 959/4885TDO2 735/4885CES2 2078/4885
US-12528819-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment GABRA5, GRM5, GABRE IDO1 3537/4885TDO2 4655/4885CES2 3579/4885
US-20240174662-A1 SMALL MOLECULE INHIBITORS OF SALT INDUCIBLE KINASES SIK2, SIK1, SGK2 IDO1 3332/4885TDO2 3755/4885CES2 3270/4885
US-20050282880-A1 Novel 1H-indazole compounds MAPK1, MAPK3, MAPK13 IDO1 784/4885TDO2 1374/4885CES2 2171/4885
US-20030092714-A1 Heterocyclic inhibitors of ERK2 and uses thereof MAPK1, MAPK3, MAP2K2 IDO1 1865/4885TDO2 2507/4885CES2 4025/4885
US-12291535-B2 Benzodiazepine derivatives, compositions, and methods for treating cognitive impairment GABRA5, GRM5, GABRA1 IDO1 2867/4885TDO2 4658/4885CES2 4089/4885

“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.