SCHEMBL14315775

SCHEMBL14315775

Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(N)c(Cl)c4)CCC3)cn2)cn1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.44
ALOX5AP P20292 17/20 0.41
HDAC3 O15379 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL9966546 0.89 IDO1 (0.46) IDO1ALOX5APHDAC3NCOR2
SCHEMBL9966447 0.88 ALOX5AP (0.41) IDO1ALOX5AP
SCHEMBL14315778 0.85 ALOX5AP (0.44) IDO1ALOX5AP
SCHEMBL9966451 0.83 OTUD7B (0.43) IDO1ALOX5AP
SCHEMBL9966343 0.81 ALOX5AP (0.44) IDO1ALOX5AP
SCHEMBL14313992 0.80 ALOX5AP (0.41) IDO1ALOX5AP
SCHEMBL14315771 0.80 MAP4K4 (0.50) IDO1HDAC3NCOR2
SCHEMBL9966342 0.80 ALOX5AP (0.56) ALOX5AP
SCHEMBL14313998 0.78 ALOX5AP (0.45) ALOX5AP
SCHEMBL9966488 0.77 MAP4K4 (0.44) IDO1ALOX5APHDAC3

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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-20 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-20120322795-A1 BIARYLAMIDE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTB4R2, LTC4S IDO1 819/4885ALOX5AP 43/4885HDAC3 1912/4885

“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.