SCHEMBL406076

SCHEMBL406076

COc1ccc2[nH]c(=O)n3nc(C)nc3c2c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 14/20 0.72
HSD17B10 Q99714 2/20 0.63
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
HPGD P15428 2/20 0.49
XDH P47989 1/20 0.48

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
SCHEMBL463661 0.85 HAVCR2 (0.62) HAVCR2HSD17B10KDM4EXDH
SCHEMBL22988100 0.84 KDM4E (0.78) HAVCR2HSD17B10ALDH1A1KDM4EPOLB
SCHEMBL404656 0.83 HAVCR2 (0.75) HAVCR2HSD17B10XDH
SCHEMBL11082526 0.83 HAVCR2 (0.66) HAVCR2HSD17B10ALDH1A1KDM4EPOLB
SCHEMBL11080162 0.83 HAVCR2 (0.66) HAVCR2HSD17B10ALDH1A1KDM4EPOLB
SCHEMBL404548 0.81 HAVCR2 (0.80) HAVCR2HSD17B10
SCHEMBL11177065 0.81 HSD17B10 (0.66) HAVCR2HSD17B10ALDH1A1KDM4EHPGD
SCHEMBL404764 0.81 HAVCR2 (1.00) HAVCR2HSD17B10XDH
SCHEMBL22987507 0.80 KDM4E (0.69) HAVCR2HSD17B10ALDH1A1KDM4EPOLB
SCHEMBL22987493 0.78 KDM4E (0.73) HAVCR2HSD17B10ALDH1A1KDM4EPOLB

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 6 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-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
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885ALDH1A1 1909/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885ALDH1A1 1909/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885ALDH1A1 1909/4885

“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.