SCHEMBL415893

SCHEMBL415893

O=Cc1c(F)ccc(F)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
CYP2D6 P10635 1/20 0.42
ERN1 O75460 2/20 0.38
CES2 O00748 2/20 0.37
CES1 P23141 2/20 0.37
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTGS2 P35354 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
BCHE P06276 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
PADI4 Q9UM07 1/20 0.30
NFE2L2 Q16236 1/20 0.30

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
SCHEMBL31685229 1.00 CYP2C9 (0.46) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL12235261 0.85 ERN1 (0.42) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL1816745 0.82 ERN1 (0.43) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL2891346 0.80 CYP2C9 (0.41) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL415661 0.80 ERN1 (0.42) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL11992946 0.80 CYP2C9 (0.41) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL1197434 0.80 CYP2C9 (0.45) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL615646 0.80 ALDH1A1 (0.44) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL658249 0.80 CYP2C9 (0.41) CYP2C9CYP3A4CYP2C19CYP2D6ERN1
SCHEMBL1359122 0.80 ALDH1A1 (0.50) CYP2C9CYP3A4CYP2C19CYP2D6ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118459422-A Thiazole thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
CN-118459420-A Thiazolinone compound containing multiple halogen atoms and preparation method thereof 南京工业大学 2024-08-09 CN claimed
EP-1506176-B1 AMINOINDAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PFIZER ITALIA SRL (IT) 2013-04-24 EP claimed
EP-1306380-B1 NOVEL EXPANDED PORPHYRINS AND PROCESS FOR THE SYNTHESIS THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-12-17 EP claimed
US-20060084176-A1 Detection of uronium salts YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2006-04-20 US claimed
US-6822092-B2 LARGER CYCLIC NITROGEN-NETWORK, RED-SHIFTED ABSORPTION BANDS, MORE FLEXIBLE CONFORMATION OF THE MACROCYCLES, AND COORDINATION ABILITY OF MORE THAN TWO METAL IONS JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2004-11-23 US claimed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
US-20030162963-A1 Novel expanded porphyrins and process for the synthesis thereof JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2003-08-28 US claimed
EP-1306380-A1 NOVEL EXPANDED PORPHYRINS AND PROCESS FOR THE SYNTHESIS THEREOF Japan Science and Technology Corporation (JP) 2003-05-02 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
EP-0725787-A1 ACTIVATED NUCLEOSIDE PHOSPHORAMIDITES AND METHODS FOR THE PREPARATION AND USE THEREOF BECKMAN INSTRUMENTS, INC. (US) 1996-08-14 EP claimed
WO-1996006853-A1 ACTIVATED NUCLEOSIDE PHOSPHORAMIDITES AND METHODS FOR THE PREPARATION AND USE THEREOF BECKMAN INSTRUMENTS, INC. (US) 1996-03-07 WO claimed
US-12338241-B2 Bicyclic sulfones and sulfoxides and methods of use thereof GENENTECH, INC. (US) 2025-06-24 US disclosed
CN-119613408-A Bicyclic ketone compounds and methods of use thereof 豪夫迈·罗氏有限公司 2025-03-14 CN disclosed
WO-2024259241-A1 5-HT2A RECEPTOR MODULATORS AND METHODS OF USE THEREOF Transneural Therapeutics, Inc. (US) 2024-12-19 WO disclosed
CN-110914271-B Bicyclic ketone compounds and methods of use thereof 豪夫迈·罗氏有限公司 2024-12-10 CN disclosed
WO-1996006853-A1 ACTIVATED NUCLEOSIDE PHOSPHORAMIDITES AND METHODS FOR THE PREPARATION AND USE THEREOF BECKMAN INSTRUMENTS, INC. (US) 1996-03-07 WO disclosed
US-4618678-A 4-(2,3-dichloro-6-fluorophenyl)-1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-1,7-naphthyridine-3-carboxylic acid 2-(2,3-dichlorophenoxy)ethyl ester AMERICAN HOME PRODUCTS CORPORATION (US) 1986-10-21 US disclosed
US-4596873-A 1,4,5,6,7,8-Hexahydro-2-alkyl-4-aryl-5-oxo-1,7-naphthyridine-3-carboxylic acid aromatic esters and pharmaceutically acceptable acid addition salts thereof useful as antihypertensive agents AMERICAN HOME PRODUCTS CORPORATION (US) 1986-06-24 US disclosed
EP-0174131-A2 Dihydropyridines, processes and intermediates for their production, and pharmaceutical formulations containing them FISONS plc (GB) 1986-03-12 EP 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-12338241-B2 Bicyclic sulfones and sulfoxides and methods of use thereof RB1, CCNE2, RPS3A CYP2C9 1164/4885CYP3A4 1269/4885CYP2C19 915/4885
US-20030162963-A1 Novel expanded porphyrins and process for the synthesis thereof AAAS, PAM, AHR CYP2C9 150/4885CYP3A4 282/4885CYP2C19 181/4885

“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.