SCHEMBL4482132

SCHEMBL4482132

O=C(O)c1cn(C2CC2)c2c(Cl)c(F)ccc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ POLB P06746 1/20 0.58
▸ CHRM2 P08172 1/20 0.58
▸ CHRM1 P11229 1/20 0.58
▸ OPRM1 P35372 1/20 0.58
▸ OPRD1 P41143 1/20 0.58
▸ TOP2A P11388 7/20 0.56
▸ TOP2B Q02880 7/20 0.56
▸ KDM4E B2RXH2 4/20 0.47
▸ PIK3CD O00329 1/20 0.47
▸ PIK3R1 P27986 1/20 0.47
▸ PIK3CA P42336 1/20 0.47
▸ PIK3CG P48736 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ KCNH2 Q12809 4/20 0.45
▸ DPP4 P27487 1/20 0.45

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
SCHEMBL8084266 0.87 TOP2A (0.64) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL143295 0.86 TOP2A (0.60) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9147828 0.85 CYP3A4 (0.48) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9147833 0.85 CYP3A4 (0.48) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9147990 0.85 CYP3A4 (0.48) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL10915179 0.85 TOP2A (0.58) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL2081014 0.85 TOP2A (0.56) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8733429 0.84 ALDH1A1 (0.43) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL500386 0.84 ALDH1A1 (0.66) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL29962586 0.84 ALDH1A1 (0.66) ALDH1A1POLBCHRM2CHRM1OPRM1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 — — EP claimed
US-7482454-B2 Antimicrobial quinolones, their compositions, and uses THE PROCTER & GAMBLE COMPANY (US) 2009-01-27 — — US disclosed
US-20060100436-A1 Antimicrobial quinolones, their compositions, and uses WARNER CHILCOTT COMPANY, LLC 2006-05-11 — — US disclosed
US-6329391-B1 ANTIBIOTICS, BACTERICIDES USING QUINOLONES THE PROCTER & GAMBLE CO. 2001-12-11 — — US disclosed
US-6114590-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 2000-09-05 — — US disclosed
EP-1015445-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 2000-07-05 — — EP disclosed
US-6075165-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 2000-06-13 — — US disclosed
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 — — US disclosed
WO-1999014214-A1 ANTIMICROBIAL QUINOLONES, THEIR COMPOSITIONS AND USES THE PROCTER & GAMBLE COMPANY (US) 1999-03-25 — — WO disclosed
EP-0607824-B1 Method for the production of multiply halogenated benzotrichlorides and benzoyl chlorides as well as new multiply halogenated benzotrichlorides BAYER AG (DE) 1998-04-22 — — EP disclosed
US-5739339-A BACTERICIDES, ANTIPROTOZOA AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 — — US disclosed
US-5599980-A Process for the preparation of polyhalogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides and new trihalogenobenzotrichlorides and -benzoyl chlorides BAYER AKTIENGESELLSCHAFT (DE) 1997-02-04 — — US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 — — US disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 — — EP disclosed
US-5457104-A Antibacterials BAYER AKTIENGESELLSCHAFT (DE) 1995-10-10 — — US disclosed
CN-1097423-A Quinolone-and naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-01-18 — — CN disclosed
EP-0607824-A2 Method for the production of multiply halogenated benzotrifluorides, benzotrichlorides and benzoyl chlorides as well as trihalobenzotrichlorides and -benzoyl chlorides BAYER AG (DE) 1994-07-27 — — EP disclosed
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 — — EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 — — 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 (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-20060100436-A1 Antimicrobial quinolones, their compositions, and uses Q6ZSR9, RECQL, QARS1 ALDH1A1 2880/4885POLB 1857/4885CHRM2 855/4885

“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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