SCHEMBL6571927

SCHEMBL6571927

Cc1cc(C(=O)C(C)C)c(C)cc1NC(=O)CNc1ccc(C(=N)N)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
GAA P10253 4/20 0.47
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
F2 P00734 4/20 0.42
F10 P00742 3/20 0.42
PLAU P00749 3/20 0.42
PLAT P00750 3/20 0.42
PLG P00747 2/20 0.42
KLK1 P06870 1/20 0.42
KLK5 Q9Y337 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
F7 P08709 3/20 0.40

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
SCHEMBL6762390 0.86 ALDH1A1 (0.46) ALDH1A1MAPTGAAITGB3ITGA2B
SCHEMBL6573948 0.82 ALDH1A1 (0.47) ALDH1A1MAPTGAAHSP90AA1HSP90AB1
SCHEMBL6771396 0.79 PLAU (0.49) ALDH1A1MAPTGAAITGB3ITGA2B
SCHEMBL6563528 0.76 PRSS1 (0.51) ITGB3ITGA2BF2F10PLAU
SCHEMBL8360714 0.76 ITGB3 (0.45) ALDH1A1MAPTGAAITGB3ITGA2B
SCHEMBL6767048 0.76 ITGB3 (0.42) ALDH1A1MAPTGAAITGB3ITGA2B
SCHEMBL6765245 0.76 GAA (0.42) ALDH1A1MAPTGAAITGB3ITGA2B
SCHEMBL6766036 0.76 ITGB3 (0.42) ALDH1A1MAPTGAAITGB3ITGA2B
SCHEMBL6561829 0.76 F2 (0.40) ITGB3ITGA2BF2F10PLAU
SCHEMBL6569900 0.74 ITGB3 (0.41) ALDH1A1MAPTGAAITGB3ITGA2B

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 4 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
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 ALDH1A1 669/4885MAPT 449/4885GAA 454/4885

“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.