SCHEMBL1266199

SCHEMBL1266199

O=C1[N]C(=O)c2cccc3cccc1c23

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.61
▸ MCL1 Q07820 2/20 0.61
▸ CES2 O00748 1/20 0.61
▸ BCHE P06276 1/20 0.61
▸ CES1 P23141 1/20 0.61
▸ TYMS P04818 4/20 0.56
▸ PARP1 P09874 1/20 0.54
▸ HSD17B10 Q99714 5/20 0.52
▸ TSHR P16473 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PABPC1 P11940 3/20 0.52
▸ CASP1 P29466 2/20 0.52
▸ CASP7 P55210 2/20 0.52
▸ DNMT1 P26358 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ ERCC1 P07992 1/20 0.50
▸ FEN1 P39748 1/20 0.50
▸ ERCC4 Q92889 1/20 0.50

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
SCHEMBL1381178 0.84 KDM4E (0.48) ALDH1A1MCL1CES2BCHECES1
SCHEMBL8891852 0.80 BRD1 (0.42) ALDH1A1MCL1CES2BCHECES1
SCHEMBL10702898 0.80 NPSR1 (0.60) ALDH1A1MCL1CES2BCHECES1
Acenaphthoquinone SCHEMBL141538 0.76 ALDH1A1 (1.00) ALDH1A1MCL1CES2BCHECES1
SCHEMBL18803237 0.76 ALDH1A1 (0.89) ALDH1A1MCL1CES2BCHECES1
Acenaphthoquinone SCHEMBL2156555 0.76 ALDH1A1 (1.00) ALDH1A1MCL1CES2BCHECES1
Acenaphthoquinone SCHEMBL29586645 0.76 ALDH1A1 (1.00) ALDH1A1MCL1CES2BCHECES1
SCHEMBL4854374 0.75 BCHE (0.32) BCHECES1L3MBTL1POLB
SCHEMBL19888 0.75 MEN1 (0.50) ALDH1A1CES2BCHECES1TSHR
SCHEMBL9041143 0.75 CES1 (0.43) ALDH1A1MCL1CES2BCHECES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2307461-B1 POLYMERS FUNCTIONALIZED WITH IMIDE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORP (JP) 2017-02-08 — — EP claimed
CN-102143980-B Polymers functionalized with imide compounds containing protected amino group BRIDGESTONE CORP 2014-03-12 — — CN claimed
JP-2011526957-A — — 2011-10-20 — — JP claimed
EP-1901775-B1 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION JERINI AG (DE) 2011-08-24 — — EP claimed
CN-102143980-A Polymers functionalized with imide compounds containing a protected amino group BRIDGESTONE CORP 2011-08-03 — — CN claimed
EP-2307461-A1 POLYMERS FUNCTIONALIZED WITH IMIDE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-04-13 — — EP claimed
US-20100004414-A1 POLYMERS FUNCTIONALIZED WITH IMIDE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-01-07 — — US claimed
WO-2010002849-A1 POLYMERS FUNCTIONALIZED WITH IMIDE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-01-07 — — WO claimed
JP-4238334-B2 — — 2009-03-18 — — JP claimed
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction JERINI AG (DE) 2008-09-11 — — US claimed
EP-0661058-A1 Use of bradykinin antagonists for the treatment of viral diseases HOECHST AKTIENGESELLSCHAFT (DE) 1995-07-05 — — EP claimed
EP-0623350-A1 Use of Bradykinin-antagonists for the manufacture of a medicament for the prophylaxis and treatment of arteriosclerosis HOECHST AKTIENGESELLSCHAFT (DE) 1994-11-09 — — EP claimed
WO-1994010990-A1 INHIBITION OF TNF PRODUCTION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1994-05-26 — — WO claimed
US-5304549-A Control or prevention of degenerative joint diseases HOFFMANN-LA ROCHE INC. (US) 1994-04-19 — — US claimed
EP-0564972-A2 Peptides with N-terminal modifications having bradykinin antagonistic activity HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-13 — — EP claimed
CN-1077202-A The peptide compounds of N-end modification HOECHST AG (DE) 1993-10-13 — — CN claimed
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 — — EP claimed
US-4497953-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1985-02-05 — — US claimed
EP-0042639-B1 AZIDO, IMIDO, AMIDO AND AMINO DERIVATIVES OF MERCAPTOACYL PROLINES AND PIPECOLIC ACIDS HAVING HYPOTENSIVE ACTIVITY E.R. Squibb & Sons, Inc. (US) 1984-08-22 — — EP claimed
EP-0042639-A2 Azido, imido, amido and amino derivatives of mercaptoacyl prolines and pipecolic acids having hypotensive activity E.R. Squibb & Sons, Inc. (US) 1981-12-30 — — 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 (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-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction BDKRB2, BDKRB1, F2R ALDH1A1 2255/4885MCL1 4774/4885CES2 3855/4885
US-20100004414-A1 POLYMERS FUNCTIONALIZED WITH IMIDE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP PARG, PIN1, NPEPPS ALDH1A1 4339/4885MCL1 2597/4885CES2 2565/4885

“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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