SCHEMBL711132

SCHEMBL711132

NC(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 6/20 0.61
▸ TNKS O95271 1/20 0.57
▸ PARP15 Q460N3 1/20 0.57
▸ PARP14 Q460N5 1/20 0.57
▸ PARP10 Q53GL7 1/20 0.57
▸ TNKS2 Q9H2K2 1/20 0.57
▸ PARP2 Q9UGN5 1/20 0.57
▸ ABL1 P00519 5/20 0.54
▸ BCR P11274 3/20 0.54
▸ DYRK1A Q13627 1/20 0.54
▸ RIPK1 Q13546 1/20 0.52
▸ KAT6A Q92794 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TAS1R3 Q7RTX0 1/20 0.49
▸ TAS1R1 Q7RTX1 1/20 0.49
▸ TAS1R2 Q8TE23 1/20 0.49
▸ TRPM8 Q7Z2W7 1/20 0.48
▸ F10 P00742 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
SCHEMBL29448761 1.00 PARP1 (0.61) PARP1TNKSPARP15PARP14PARP10
Hydrochloric Acid SCHEMBL1268771 0.98 PARP1 (0.59) PARP1TNKSPARP15PARP14PARP10
Trifluoroacetic Acid SCHEMBL12480668 0.94 PARP1 (0.54) PARP1TNKSPARP15PARP14PARP10
SCHEMBL3722117 0.90 DYRK1A (0.62) PARP1TNKSPARP15PARP14PARP10
SCHEMBL4639564 0.86 MRGPRX4 (0.61) PARP10RIPK1TRPM8
SCHEMBL2095288 0.86 KAT6A (0.51) KAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL690501 0.85 KAT6A (0.54) KAT6ATAS1R3TAS1R1TAS1R2
SCHEMBL27553854 0.85 PARP1 (0.49) PARP1TNKSPARP15PARP14PARP10
SCHEMBL16502085 0.84 TAS1R3 (0.51) KAT6ATAS1R3TAS1R1TAS1R2TRPM8
SCHEMBL10561497 0.84 KAT6A (0.52) KAT6ATAS1R3TAS1R1TAS1R2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115947715-B 2, 5-diamino-3, 4-thiophene dicarboxylic acid diethyl ester derivative and application thereof 中国科学院新疆理化技术研究所 2024-01-19 — — CN claimed
CN-111601790-B Heteroaryl compounds as protein kinase inhibitors 福建海西新药创制股份有限公司 2023-03-31 — — CN claimed
CN-110642741-A Functionalized benzamide derivatives as antiviral agents against HBV infection 巴鲁克斯布隆伯格研究所 2020-01-03 — — CN claimed
CN-104918612-B Functionalized benzamide derivatives as antiviral agents against HBV infection 巴鲁克斯布隆伯格研究所 2019-10-25 — — CN claimed
CN-108699106-A Novel trifluoromethyl propanamide derivative as HTRA1 inhibitor 豪夫迈·罗氏有限公司 2018-10-23 — — CN claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 — — EP claimed
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 — — EP claimed
EP-3134079-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX Discovery, Inc. (US) 2017-03-01 — — EP claimed
WO-2015175171-A1 SUBSTITUTED N-(2-(AMINO)-2-OXOETHYL)BENZAMIDE INHIBITORS OF AUTOTAXIN AND THEIR PREPARATION AND USE IN THE TREATMENT OF LPA-DEPENDENT OR LPA-MEDIATED DISEASES X-RX DISCOVERY, INC. (US) 2015-11-19 — — WO claimed
US-20150307443-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2015-10-29 — — US claimed
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders PROXIMAGEN NEUROSCIENCE PLC (GB) 2003-08-21 — — US claimed
WO-2002100822-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS, PROCESS FOR THEIR USE AS MEDICAMENT FOR THE TREATMENT OF CNS DISORDERS, OBESITY AND TYPE II DIABETES BIOVITRUM AB (SE) 2002-12-19 — — WO claimed
EP-1237862-A1 SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION Versicor, Inc. (US) 2002-09-11 — — EP claimed
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation VICURON HOLDINGS LLC 2002-08-22 — — US claimed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 — — WO claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 — — WO claimed
US-4960768-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-10-02 — — US claimed
US-4863954-A Acyloxythiophene-carboxamide fungicides BAYER AKTIENGESELLSCHAFT (DE) 1989-09-05 — — US claimed
US-4767757-A Acyloxythiophene-carboxamide fungicides, compositions and use BAYER AKTIENGESELLSCHAFT (DE) 1988-08-30 — — US claimed
EP-0241735-A2 Acyloxythiophene carbon amide BAYER AG (DE) 1987-10-21 — — 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 (3 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-20150307443-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, PHB2, PHB1 PARP1 666/4885TNKS 2987/4885PARP15 480/4885
US-20030158202-A1 Substituted fused ring sulfonamides containing, e.g., naphthalene, isoquinoline, quinoline, benzofuran or benzothiophene rings; treatment of conditions relating to obesity, type II diabetes and CNS disorders SULT2A1, SULT1A1, SULT1E1 PARP1 3718/4885TNKS 3733/4885PARP15 3648/4885
US-20020115863-A1 Novel succinate compounds, compositions and methods of use and preparation PDF, MMP2, SDHA PARP1 2529/4885TNKS 2977/4885PARP15 1667/4885

“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.

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