SCHEMBL6569900

SCHEMBL6569900

CCOC(=O)CCC(=O)N(c1cc(C)c(NC(=O)CNc2ccc(C(=N)N)cc2)cc1C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.41
ITGA2B P08514 5/20 0.41
MAPT P10636 7/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 4/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
F10 P00742 5/20 0.37
F2 P00734 5/20 0.37
MAPK1 P28482 1/20 0.37
PRSS1 P07477 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NQO2 P16083 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8360714 0.90 ITGB3 (0.45) ITGB3ITGA2BMAPTALDH1A1GAA
SCHEMBL6571971 0.89 ALDH1A1 (0.39) ITGB3ITGA2BMAPTALDH1A1GAA
SCHEMBL6762132 0.88 ALDH1A1 (0.40) ITGB3ITGA2BMAPTALDH1A1GAA
SCHEMBL6574024 0.85 ALDH1A1 (0.43) MAPTALDH1A1GAAHSP90AA1HSP90AB1
SCHEMBL6766036 0.84 ITGB3 (0.42) ITGB3ITGA2BMAPTALDH1A1GAA
SCHEMBL6767048 0.81 ITGB3 (0.42) ITGB3ITGA2BMAPTALDH1A1GAA
SCHEMBL6563607 0.81 ITGB3 (0.40) ITGB3ITGA2BF10F2PRSS1
SCHEMBL6565346 0.78 ITGB3 (0.39) ITGB3ITGA2BF10F2PRSS1
SCHEMBL6574030 0.78 F2 (0.43) ITGB3ITGA2BMAPTALDH1A1F10
SCHEMBL6570531 0.78 F2 (0.41) ITGB3ITGA2BMAPTF10F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US claimed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP claimed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO claimed
US-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-12-09 US disclosed
EP-1414790-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-05-06 EP disclosed
WO-2003000653-A1 SUBSTITUTED N-ACYL ANILINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO.KG (DE) 2003-01-03 WO 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-20040248897-A1 Substituted N-acylaniline derivatives, the preparation thereof, and their use as pharmaceutical compositions NAT1, CYP3A5, CYP3A7 ITGB3 3024/4885ITGA2B 3453/4885MAPT 449/4885

“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.