SCHEMBL6771187

SCHEMBL6771187

CCc1cc(CC)n(-c2ccc(NC(=O)CNc3ccc(C(=N)N)cc3)cc2C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ITGB3 P05106 4/20 0.37
ITGA2B P08514 4/20 0.37
KHK P50053 1/20 0.36
F2 P00734 5/20 0.36
F10 P00742 3/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
PLG P00747 2/20 0.35
PLAU P00749 2/20 0.35
PLAT P00750 2/20 0.35
KLK1 P06870 1/20 0.35
KLK5 Q9Y337 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 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
SCHEMBL6571753 0.84 ALDH1A1 (0.46) MAPTKDM4EPOLBTDP1ALDH1A1
SCHEMBL6572878 0.80 POLB (0.40) MAPTPOLBTDP1CA12CA1
SCHEMBL6563913 0.79 CA12 (0.33) ITGB3ITGA2BF2F10CA12
SCHEMBL6564407 0.76 CA12 (0.34) KHKF2F10CA12CA1
SCHEMBL6761997 0.70 F10 (0.48) MAPTKDM4EITGB3ITGA2BF2
SCHEMBL6766527 0.67 MAPT (0.41) MAPTKDM4EITGB3ITGA2BF2
SCHEMBL6571927 0.64 ALDH1A1 (0.47) MAPTKDM4EITGB3ITGA2BF2
SCHEMBL6762390 0.63 ALDH1A1 (0.46) MAPTKDM4EITGB3ITGA2BF2
SCHEMBL1189501 0.62 F2 (0.65) MAPTITGB3ITGA2BF2F10
SCHEMBL16166399 0.62 POLB (0.56) ITGB3ITGA2BF2F10POLB

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 MAPT 449/4885KDM4E 1576/4885ITGB3 3024/4885

“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.