SCHEMBL133355

SCHEMBL133355

COc1cc(NC(C)=O)c(Cl)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 1/20 0.58
HTT P42858 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 6/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HSD17B10 Q99714 3/20 0.50
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
DRD2 P14416 2/20 0.48
DRD4 P21917 2/20 0.48
DRD3 P35462 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL10827979 0.93 AGER (0.53) AGERHTTTDP1HPGDPOLB
SCHEMBL14490855 0.89 AGER (0.60) AGERHTTHPGDPOLBKDM4E
SCHEMBL130152 0.88 HTT (0.72) AGERHTTHPGDPOLBKDM4E
SCHEMBL6962669 0.88 AGER (0.58) AGERHTTHPGDPOLBKDM4E
SCHEMBL9835503 0.87 KMT2A (0.54) AGERHPGDKDM4EALDH1A1HSD17B10
SCHEMBL7368723 0.86 KDM4E (0.49) AGERHTTTDP1HPGDPOLB
SCHEMBL10872846 0.85 HTT (0.51) AGERHTTTDP1HPGDPOLB
SCHEMBL14490806 0.85 HTT (0.60) AGERHTTHPGDPOLBKDM4E
SCHEMBL20920574 0.85 AGER (0.62) AGERHTTHPGDPOLBKDM4E
SCHEMBL2337780 0.84 HTT (0.51) HTTTDP1HPGDPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119822987-A Preparation method of 4-acetamido-5-chloro-2-methoxybenzoic acid methyl ester 苏州诚和医药化学有限公司 2025-04-15 CN claimed
CN-117843520-A Methoxychlor-pram intermediate and preparation method and application thereof 常熟泓德生物科技有限公司 2024-04-09 CN claimed
CN-116102451-A Preparation process of metoclopramide 内蒙古康普药业有限公司 2023-05-12 CN claimed
US-20060110743-A1 Drug evolution: drug design at hot spots KONISHI YASUO 2006-05-25 US claimed
WO-2002095393-A2 DRUG EVOLUTION: DRUG DESIGN AT HOT SPOTS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2002-11-28 WO claimed
CN-116102451-B Methoxychlor-pup Process for the preparation of amines 内蒙古康普药业有限公司 2025-10-28 CN disclosed
CN-119822987-A Preparation method of 4-acetamido-5-chloro-2-methoxybenzoic acid methyl ester 苏州诚和医药化学有限公司 2025-04-15 CN disclosed
CN-119039171-B Industrial production of hydrochloric acid Methoxychlor-pram process 广州市桐晖药业有限公司 2025-01-24 CN disclosed
CN-119039171-A Industrial production of hydrochloric acid Methoxychlor-pram process 广州市桐晖药业有限公司 2024-11-29 CN disclosed
CN-117843520-A Methoxychlor-pram intermediate and preparation method and application thereof 常熟泓德生物科技有限公司 2024-04-09 CN disclosed
CN-116102451-A Preparation process of metoclopramide 内蒙古康普药业有限公司 2023-05-12 CN disclosed
CN-116102451-A Preparation process of metoclopramide 内蒙古康普药业有限公司 2023-05-12 CN disclosed
US-4267175-A FOR USE AS AN ANTIEMETIC, AND TREATMENT FOR GASTROINTESTINAL DISORDERS BEECHAM GROUP LIMITED (GB) 1981-05-12 US disclosed
US-4213983-A Treating gastro-intestinal disorders and emesis with n-(heterocyclic substituted) benzamides BEECHAM GROUP LIMITED (GB) 1980-07-22 US disclosed
EP-0013138-A1 Azabicycloalkyl derivatives, a process for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-07-09 EP disclosed
US-4207327-A N-(4-Pyrazolidinyl)benzamides and their amino precursors A. H. ROBINS COMPANY, INC. (US) 1980-06-10 US disclosed
US-4163789-A Anti-psychotic (cycloalkenylalkylpiperidino) benzamides ANPHAR, S.A. (ES) 1979-08-07 US disclosed
US-4138492-A FOR TREATMENT OF GASTROINTESTINAL DISORDERS ANPHAR, S.A. (ES) 1979-02-06 US disclosed
US-3966957-A Method for controlling emesis with N-(1-substituted-3-pyrrolidinyl)benzamides and thiobenzamides A. H. ROBINS COMPANY, INCORPORATED (US) 1976-06-29 US disclosed
US-3963745-A Method for controlling emesis with N-(1-substituted-3-pyrrolidinyl)benzamides and thiobenzamides A. H. ROBINS COMPANY, INCORPORATED (US) 1976-06-15 US disclosed