SCHEMBL6766036

SCHEMBL6766036

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.42
ITGA2B P08514 4/20 0.42
ALDH1A1 P00352 5/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 4/20 0.39
SLC1A3 P43003 4/20 0.38
SLC1A2 P43004 4/20 0.38
SLC1A1 P43005 4/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
F7 P08709 5/20 0.36
F2 P00734 3/20 0.36
F10 P00742 2/20 0.35
CASR P41180 1/20 0.34
MAPK1 P28482 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
F3 P13726 1/20 0.34
PRSS3 P35030 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL6762132 0.91 ALDH1A1 (0.40) ITGB3ITGA2BALDH1A1MAPTGAA
SCHEMBL8360714 0.88 ITGB3 (0.45) ITGB3ITGA2BALDH1A1MAPTGAA
SCHEMBL6767048 0.85 ITGB3 (0.42) ITGB3ITGA2BALDH1A1MAPTGAA
SCHEMBL6569900 0.84 ITGB3 (0.41) ITGB3ITGA2BALDH1A1MAPTGAA
SCHEMBL6571971 0.82 ALDH1A1 (0.39) ITGB3ITGA2BALDH1A1MAPTGAA
SCHEMBL6562025 0.80 ITGB3 (0.36) ITGB3ITGA2BSLC1A3SLC1A2SLC1A1
SCHEMBL6766013 0.77 ALDH1A1 (0.42) ALDH1A1MAPTGAAHSP90AA1HSP90AB1
SCHEMBL6571927 0.76 ALDH1A1 (0.47) ITGB3ITGA2BALDH1A1MAPTGAA
SCHEMBL6762390 0.75 ALDH1A1 (0.46) ITGB3ITGA2BALDH1A1MAPTGAA
SCHEMBL6762406 0.73 ITGB3 (0.40) ITGB3ITGA2BF7F2F10

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 1 patent. 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 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 3453/4885ALDH1A1 669/4885

“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.