SCHEMBL404765

SCHEMBL404765

Cc1ccc2c(c1)[nH]c(=O)n1nc(C)nc21

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 17/20 0.75
HSD17B10 Q99714 1/20 0.69
TP53 P04637 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
XDH P47989 1/20 0.52

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
SCHEMBL404656 0.88 HAVCR2 (0.75) HAVCR2HSD17B10TP53SMN1; SMN2RXFP1
SCHEMBL405565 0.86 HAVCR2 (1.00) HAVCR2HSD17B10
SCHEMBL31167546 0.86 HAVCR2 (0.80) HAVCR2HSD17B10XDH
SCHEMBL405740 0.86 HAVCR2 (0.71) HAVCR2HSD17B10XDH
SCHEMBL462802 0.82 HAVCR2 (0.67) HAVCR2HSD17B10XDH
SCHEMBL11090906 0.82 HAVCR2 (0.53) HAVCR2HSD17B10TP53SMN1; SMN2RXFP1
SCHEMBL9258113 0.82 HAVCR2 (0.66) HAVCR2HSD17B10XDH
SCHEMBL10924896 0.82 HAVCR2 (1.00) HAVCR2HSD17B10TP53SMN1; SMN2RXFP1
SCHEMBL404463 0.79 HAVCR2 (0.71) HAVCR2HSD17B10
SCHEMBL405538 0.79 HAVCR2 (0.63) HAVCR2HSD17B10XDH

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 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 (2 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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885TP53 3565/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885TP53 3565/4885

“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.