SCHEMBL6422433

SCHEMBL6422433

Brc1ccc([C@H]2CN3C=CC=CC3=N2)nc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OPRM1 P35372 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL6418006 0.70 ALDH1A1 (0.41) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL6418003 0.70 ALDH1A1 (0.41) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL13941293 0.65 KDM4E (0.37) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL21655004 0.65 KDM4E (0.40) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL4570765 0.63 KDM4E (0.47) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL3440245 0.63 KDM4E (0.38) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL588122 0.60 OPRM1 (0.46) KDM4EALDH1A1POLBOPRM1OPRL1
SCHEMBL13698339 0.60 KDM4E (0.44) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL21759296 0.60 KDM4E (0.44) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL23148740 0.58 OPRM1 (0.43) KDM4EALDH1A1OPRM1OPRL1

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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols WASHINGTON UNIVERSITY 2005-11-17 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-20050256150-A1 Enantioselective acyl transfer catalysts and their use in kinetic resolution of alcohols and desymmetrization of meso-diols ADH5, DBI, ADH1A KDM4E 2445/4885ALDH1A1 203/4885POLB 863/4885

“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.