SCHEMBL252706

SCHEMBL252706

O=c1ccc2ccc(O)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA9 Q16790 3/20 0.54
CA1 P00915 2/20 0.54
CA3 P07451 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA13 Q8N1Q1 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
GLA P06280 2/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
TYR P14679 1/20 0.52
CA2 P00918 1/20 0.50
F11 P03951 1/20 0.47
MAPK1 P28482 1/20 0.46

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
SCHEMBL29487486 1.00 CA12 (0.54) CA12CA9CA1CA3CA4
SCHEMBL28299982 0.98 CA12 (0.52) CA12CA9CA1CA3CA4
SCHEMBL3368797 0.85 CA12 (0.60) CA12CA9CA1CA3CA4
SCHEMBL25903990 0.79 GAA (0.50) CA12CA9CA1CA3CA4
SCHEMBL25904005 0.79 CDK4 (0.50) CA12CA9CA1CA3CA4
SCHEMBL4288324 0.78 CA12 (0.52) CA12CA9CA1CA3CA4
SCHEMBL31741308 0.77 HRH4 (0.39) CA12CA9CA1CA3CA4
SCHEMBL17951770 0.77 MAPK1 (0.68) CA12CA9CA1CA3CA4
SCHEMBL4290533 0.75 CA12 (0.53) CA12CA9CA1CA3CA4
SCHEMBL708122 0.74 DAO (0.56) CA12CA9CA1CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119804705-A Method for detecting related substances of bripiprazole tablet 海南通用三洋药业有限公司 2025-04-11 CN claimed
CN-117871704-A Method for detecting related substances of pirenzepine intermediate 万全万特制药江苏有限公司 2024-04-12 CN claimed
CN-117871703-A Method for detecting 7-hydroxy-2-quinolone related substances serving as intermediate of bripiprazole 万全万特制药江苏有限公司 2024-04-12 CN claimed
CN-114166960-B Method for detecting substances related to epipiprazole 西安远大科创医药科技有限公司 2023-09-29 CN claimed
CN-112858524-B Detection method and application of brexpiprazole related substance 丽珠集团新北江制药股份有限公司 2022-12-20 CN claimed
CN-114181202-A Preparation method of brexpiprazole 湖南省湘中制药有限公司 2022-03-15 CN claimed
CN-114166960-A Detection method of brexpiprazole related substance 西安远大科创医药科技有限公司 2022-03-11 CN claimed
CN-112858524-A Detection method and application of brexpiprazole related substance 丽珠集团新北江制药股份有限公司 2021-05-28 CN claimed
US-10464931-B2 Process for the preparation of Quinolin-2(1H)-one derivatives HONOUR (R&D) (IN) 2019-11-05 US claimed
CN-106645494-B According to a detection method of the piperazine azoles starting material in relation to substance 成都百裕制药股份有限公司 2019-09-06 CN claimed
WO-2018087775-A1 PROCESSES FOR THE PREPARATION OF 7-{4-[4-(1-BENZOTHIOPHEN-4-YL)PIPERAZIN-1-YL]BUTOXY}QUINOLIN-2(1H)-ONE MSN LABORATORIES PRIVATE LIMITED, R&D CENTER (IN) 2018-05-17 WO claimed
WO-2018015354-A1 THE METHOD FOR MANUFACTURE OF BREXPIPRAZOLE, INTERMEDIATES USED IN THIS METHOD, AND THE METHOD FOR MANUFACTURE THEREOF ADAMED SP. Z O.O. (PL) 2018-01-25 WO claimed
US-20170320862-A1 PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE AND INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2017-11-09 US claimed
CN-107098855-A A kind of method for preparing the quinolinone of 7 hydroxyl 2 上海诺星医药科技有限公司 2017-08-29 CN claimed
WO-2017115287-A1 PROCESS FOR THE PREPARATION OF QUINOLINE-2(1H)-ONE DERIVATIVES HONOUR (R&D) (IN) 2017-07-06 WO claimed
CN-106831739-A It is a kind of for synthesizing according to a preparation method for piperazine azoles 浙江燎原药业股份有限公司 2017-06-13 CN claimed
CN-106749007-A A kind of method for preparing the quinolone of 7 hydroxyl 2 沧州那瑞化学科技有限公司 2017-05-31 CN claimed
CN-106117750-A Photodegradable plastics thin film 芜湖凯奥尔环保科技有限公司 2016-11-16 CN claimed
CN-106008337-A Synthesis method of brexpiprazole intermediate 7-(4-chlorobutoxy)-1H-quinoline-2-one 山东川成医药股份有限公司 2016-10-12 CN claimed
CN-105399736-A Novel preparation method of brexpiprazole ANHUI YIXINMING PHARMACEUTICAL TECH CO LTD 2016-03-16 CN 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 (2 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-20170320862-A1 PROCESS FOR THE PREPARATION OF BREXPIPRAZOLE AND INTERMEDIATES THEREOF CYP4Z1, CYP4X1, CYP4B1 CA12 1992/4885CA9 2777/4885CA1 1724/4885
US-10464931-B2 Process for the preparation of Quinolin-2(1H)-one derivatives UGT1A1, CYP1A2, CYP1A1 CA12 4414/4885CA9 3962/4885CA1 4284/4885

“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.