SCHEMBL2917178

SCHEMBL2917178

COc1ccc2nccc(-c3ccc(CCNC(=O)O)nc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.40
MTNR1B P49286 13/20 0.40
KCNH2 Q12809 4/20 0.37
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL13175635 0.87 MTNR1A (0.40) MTNR1AMTNR1BKCNH2
SCHEMBL13175669 0.82 RPS6KA3 (0.36) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL2920921 0.81 KCNH2 (0.35) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL5740250 0.79 KCNH2 (0.35) KCNH2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2915126 0.79 KCNH2 (0.36) KCNH2
SCHEMBL2918405 0.78 KCNH2 (0.38) KCNH2
SCHEMBL3155066 0.78 MAPK1 (0.44) MTNR1AMTNR1BKCNH2
SCHEMBL2919816 0.77 PDE10A (0.49) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2916416 0.76 KCNH2 (0.53) KCNH2
SCHEMBL2925960 0.75 AKT1 (0.42) MTNR1AMTNR1BNAMPT

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
EP-1560488-B1 ANTIBACTERIAL AGENTS GLAXO GROUP LTD (GB) 2010-09-01 EP disclosed
US-7618959-B2 Antibacterial agents SMITHKLINEBEECHAM CORP (US) 2009-11-17 US disclosed
US-20070004710-A1 Antibacterial agents SMITHKLINE BEECHAM CORPORATION 2007-01-04 US disclosed
EP-1560488-A4 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORP (US) 2006-08-02 EP disclosed
EP-1560488-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-10 EP disclosed
WO-2004041210-A2 ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2004-05-21 WO 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-20070004710-A1 Antibacterial agents NQO2, NRDC, IFNG MTNR1A 1750/4885MTNR1B 1729/4885KCNH2 3365/4885

“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.