SCHEMBL726784

SCHEMBL726784

Cc1cccc(CC(=O)Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.57
POLB P06746 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.48
NPC1 O15118 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
ALDH1A1 P00352 3/20 0.46
IDO1 P14902 2/20 0.46
CASP3 P42574 1/20 0.46
CASP7 P55210 1/20 0.46
PKM P14618 1/20 0.46
MAPK8 P45983 1/20 0.46
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAOB P27338 1/20 0.45
MMP13 P45452 1/20 0.44

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
SCHEMBL30544187 1.00 CTBP2 (0.57) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL11834577 0.93 CTBP2 (0.55) CTBP2POLBL3MBTL1NPC1CACNA1G
SCHEMBL4191880 0.85 CTBP2 (0.44) CTBP2ALDH1A1
SCHEMBL24458263 0.84 CTBP2 (0.57) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL29635163 0.83 CTBP2 (0.61) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL7073775 0.83 CTBP2 (0.61) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL29407189 0.82 CTBP2 (0.64) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL1259064 0.82 CTBP2 (0.59) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL2532630 0.82 CTBP2 (0.64) CTBP2POLBL3MBTL1NPC1TAAR1
SCHEMBL504093 0.82 CTBP2 (0.64) CTBP2POLBL3MBTL1NPC1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115448869-A Preparation method of intermediate for synthesizing spirotetramat 顺毅南通化工有限公司 2022-12-09 CN claimed
CN-115448869-B Preparation method of intermediate for synthesizing spirotetramat 顺毅南通化工有限公司 2024-08-09 CN disclosed
CN-116715634-A Compound, pharmaceutical composition and application thereof in preparation of vasodilation drugs 山东第一医科大学(山东省医学科学院) 2023-09-08 CN disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-09 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
CN-115448869-A Preparation method of intermediate for synthesizing spirotetramat 顺毅南通化工有限公司 2022-12-09 CN disclosed
WO-2021222789-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-11-04 WO disclosed
CN-108707114-B Acetamide compound and preparation method and application thereof 上海泰禾国际贸易有限公司 2021-07-23 CN disclosed
CN-105130970-B N- sulfonyl homoserine lactone analog derivative, preparation method and use 中国人民解放军军事医学科学院毒物药物研究所 2019-06-25 CN disclosed
US-4197303-A ANTIARRHYTHMIA AGENTS, ALKOXYCARBONYL ON 4-POSITION OF PIPERIDINE JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 US disclosed
US-4197304-A ANTIARRHYTHMIA AGENTS, N-PYRIDINYL-N-(4-ALKYLPIPERIDINYL)THIENYLACETAMIDES JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-08 US disclosed
US-4196210-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1980-04-01 US disclosed
US-4182764-A DIURETIC, URICOSURIC MERCK & CO., INC. (US) 1980-01-08 US disclosed
US-4177285-A DIURETICS, HYPOTENSIVES MERCK & CO., INC. (US) 1979-12-04 US disclosed
US-4157393-A ANTIARRHYTHMIA AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-06-05 US disclosed
US-4151286-A ANTIARRHYTHMIC AGENTS JANSSEN PHARMACEUTICA N.V. (BE) 1979-04-24 US disclosed
US-4126689-A ANTIARRHYTHMIA JANSSEN PHARMACEUTICA N.V. (BE) 1978-11-21 US disclosed
US-4096267-A (1-Oxo-2-aryl or thienyl-2-substituted-5-indanyloxy (or thio) alkanoic acids, and derivatives thereof MERCK & CO., INC. (US) 1978-06-20 US disclosed
US-3984552-A 6-Oxo-7-substituted and 7,7-disubstituted-6H-indeno-[5,4-b]furan (and thiophene) carboxylic acids MERCK & CO., INC. (US) 1976-10-05 US 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 (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-11643388-B2 Inhibitors of alpha 2 beta 1 integrin and methods of use thereof ITGB1, ITGB2, ITGA2 CTBP2 850/4885POLB 2643/4885L3MBTL1 1336/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 CTBP2 850/4885POLB 2643/4885L3MBTL1 1336/4885

“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.