SCHEMBL289633

SCHEMBL289633

NC(=O)c1ccc(F)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.67
CES1 P23141 2/20 0.67
PARP1 P09874 3/20 0.54
VNN1 O95497 1/20 0.49
PLA2G7 Q13093 1/20 0.47
LCK P06239 1/20 0.47
DPP4 P27487 1/20 0.47
RAB9A P51151 1/20 0.46
ERN1 O75460 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
AR P10275 1/20 0.45
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
CHRNB1 P11230 1/20 0.44
CHRNB2 P17787 1/20 0.44
SLC6A2 P23975 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 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
SCHEMBL29781365 1.00 CES2 (0.67) CES2CES1PARP1VNN1PLA2G7
SCHEMBL28968857 0.98 CES2 (0.64) CES2CES1PARP1VNN1PLA2G7
SCHEMBL31188464 0.98 CES2 (0.64) CES2CES1PARP1VNN1PLA2G7
Hydrochloric Acid SCHEMBL29689719 0.98 CES2 (0.64) CES2CES1PARP1VNN1PLA2G7
Hydrochloric Acid SCHEMBL6831261 0.98 CES2 (0.64) CES2CES1PARP1VNN1PLA2G7
Trifluoroacetic Acid SCHEMBL6602960 0.88 CES2 (0.53) CES2CES1PARP1VNN1PLA2G7
SCHEMBL5202387 0.84 CES2 (0.78) CES2CES1VNN1PLA2G7RAB9A
SCHEMBL3078849 0.82 PARP1 (0.50) CES2CES1PARP1LCKERN1
SCHEMBL1061714 0.82 LCK (0.53) CES2CES1PARP1LCKERN1
SCHEMBL13885080 0.82 AR (0.58) CES2CES1PARP1LCKERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4121421-B1 BIARYL DERIVATIVES AS YAP/TAZ-TEAD PROTEIN-PROTEIN INTERACTION INHIBITORS NOVARTIS AG (CH) 2026-03-11 EP claimed
EP-3625215-B1 FORMIMIDAMIDINE COMPOUNDS USEFUL AGAINST PHYTOPATHOGENIC MICROORGANISMS PI INDUSTRIES LTD (IN) 2023-09-13 EP claimed
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP claimed
EP-3911645-B1 5-MEMBERED HETEROARYL COMPOUNDS CONTAINING A HYDROXAMATE MOIETY AND THEIR USE UNIV LILLE (FR) 2022-12-07 EP claimed
CN-114914362-A Preparation method of efficient and stable titanium ore solar cell 西安电子科技大学 2022-08-16 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-106715415-B 3-amino-1, 5,6, 7-tetrahydro-4H-indol-4-ones 拜耳制药股份公司 2019-06-14 CN claimed
US-20190092720-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION BARUCH S BLUMBERG INST (US) 2019-03-28 US claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
WO-2002028353-A2 PHOSPHATE TRANSPORT INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-04-11 WO claimed
WO-2002020483-A1 PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO claimed
WO-2002012442-A2 HETEROCYCLIC COMPOUNDS AS LIGANDS OF THE GABAA RECEPTOR NEUROGEN CORPORATION (US) 2002-02-14 WO claimed
WO-2002006213-A2 OXYGENATED ESTERS OF 4-IODO PHENYLAMINO BENZHYDROXAMIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-01-24 WO claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
WO-2001044179-A1 NOVEL SUCCINATE COMPOUNDS, COMPOSITIONS AND METHODS OF USE AND PREPARATION VERSICOR, INC. (US) 2001-06-21 WO claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
US-5354495-A Homo- or copolymerizable through ethylenic unsaturation NIPPON PAINT CO., LTD. (JP) 1994-10-11 US claimed
EP-0177122-B1 ACRYLAMIDE DERIVATIVES Nippon Paint Co., Ltd. (JP) 1992-04-01 EP claimed
US-4935413-A ELASTICITY, ADHESION AND DISPERSIBILITY NIPPON PAINT CO., LTD. (JP) 1990-06-19 US 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 (1 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-20190092720-A1 FUNCTIONALIZED BENZAMIDE DERIVATIVES AS ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, PHB2, PHB1 CES2 596/4885CES1 234/4885PARP1 609/4885

“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.