SCHEMBL408287

SCHEMBL408287

Nc1[c]cc2ccccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP3A4 P08684 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
HBB P68871 2/20 0.41
HIF1A Q16665 2/20 0.41
ALOX15 P16050 1/20 0.41
PDPK1 O15530 1/20 0.38
CYP2A6 P11509 5/20 0.37
CYP1A2 P05177 4/20 0.34
IDO1 P14902 1/20 0.34
AOC3 Q16853 2/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
NQO1 P15559 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL2255305 0.91 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL6163163 0.74 CYP2A6 (0.37) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL457933 0.70 CYP2A6 (0.33) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL457800 0.70 CYP2A6 (0.42) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL456918 0.70 CYP2A6 (0.42) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL456809 0.70 CYP2A6 (0.42) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL1639049 0.70 CYP1A2 (0.42) CYP2A6CYP1A2ALOX12CA1CA2
SCHEMBL68114 0.70 CYP2A6 (0.42) ALDH1A1HSD17B10CYP3A4TDP1CYP2A6
SCHEMBL2003901 0.70 HTR2A (0.39) ALDH1A1HSD17B10CYP3A4TDP1CASP1
SCHEMBL315486 0.70 CYP1A2 (0.45) ALDH1A1CYP3A4CYP2A6CYP1A2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1716160-B1 NOVEL INHIBITORS OF CHYMASE JANSSEN PHARMACEUTICA NV (BE) 2010-12-29 EP claimed
US-20100048513-A1 Novel inhibitors of chymase HAWKINS MICHAEL J 2010-02-25 US claimed
US-7459444-B2 Inhibitors of chymase JANSSEN PHARMACEUTICA N.V. (BE) 2008-12-02 US claimed
US-7138395-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-11-21 US claimed
US-7041696-B2 Interleukin-1β converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-05-09 US claimed
US-7001899-B2 Interleukin converting enzyme inhibitors THE PROCTER & GAMBLE COMPANY (US) 2006-02-21 US claimed
US-6964948-B2 Therapeutic peptide-based constructs derived from Domain II of bactericidal/permeability-increasing protein XOMA TECHNOLOGY LTD. (BM) 2005-11-15 US claimed
EP-1289954-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-14 EP claimed
EP-1289953-B1 SERINE PROTEASE INHIBITORS LILLY CO ELI (US) 2005-09-07 EP claimed
US-6936611-B2 Serine protease inhibitors ELI LILLY AND COMPANY (US) 2005-08-30 US claimed
WO-2003103677-A1 DERIVATIVES OF AZEPINE AND THIAZERAN AS INTERLEUKIN CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 WO claimed
WO-2003104231-A1 NOVEL INTERLEUKIN-1β CONVERTING ENZYME INHIBITORS THE PROCTER & GAMBLE COMPANY (US) 2003-12-18 WO claimed
US-20030144195-A1 Therapeutic peptide-based constructs LITTLE ROGER G (US) 2003-07-31 US claimed
US-6423825-B1 OCTA-, NONA-, DECA- OR POLYPEPTIDE; HEPARIN BINDING AND NEUTRALIZATION; ANTIPROLIFERATIVE AGENTS OF ENDOTHELIAL CELLS; ANGIOGENESIS INHIBITORS XOMA TECHNOLOGY LTD. (BM) 2002-07-23 US claimed
EP-1196440-A2 THERAPEUTIC PEPTIDES DERIVED FROM SUBSEQUENCES OF BPI XOMA Technology Ltd. (US) 2002-04-17 EP claimed
US-6355616-B1 FUNGICIDE OLIGOPEOTIDES XOMA (US) TECHNOLOGY LTD. 2002-03-12 US claimed
WO-2001000655-A2 THERAPEUTIC PEPTIDES DERIVED FROM SUBSEQUENCES OF BPI XOMA TECHNOLOGY LTD. (US) 2001-01-04 WO claimed
WO-2001000671-A1 DERIVATIVE COMPOUNDS XOMA TECHNOLOGY LTD. (US) 2001-01-04 WO claimed
US-5804348-A COLORLESS, METAL-FREE, IMPROVE CHARGE UNIFORMITY EASTMAN KODAK COMPANY (US) 1998-09-08 US claimed
US-5750305-A Poly (2-(sulfonamidomethylene)-2-cyanoacetamido)phenyl acrylate! charge-control agents for electrostatographic toners and developers EASTMAN KODAK COMPANY (US) 1998-05-12 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 (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-20100048513-A1 Novel inhibitors of chymase CMA1, SERPINB1, TPSAB1 ALDH1A1 1606/4885HSD17B10 973/4885CYP3A4 939/4885
US-20030144195-A1 Therapeutic peptide-based constructs LNPEP, SPPL2B, ENPEP ALDH1A1 4802/4885HSD17B10 4348/4885CYP3A4 4880/4885

“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.