SCHEMBL12807166

SCHEMBL12807166

CCCCCc1ccc2c(n1)N(C(N)=O)CCO2

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.39
NAAA Q02083 3/20 0.39
NOTUM Q6P988 1/20 0.36
FGFR4 P22455 1/20 0.36
KCNH2 Q12809 1/20 0.36
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
LTB4R Q15722 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
GRM5 P41594 1/20 0.34
ALOX5 P09917 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL12415964 0.73 MAPT (0.48) FGFR4THRBGRM5
SCHEMBL12415963 0.69 MAPT (0.51) FGFR4THRB
SCHEMBL8325968 0.69 CSNK2A1 (0.36) NOTUMFGFR4GRM5
SCHEMBL853328 0.68 CSNK2A1 (0.36) NOTUMFGFR4GRM5
SCHEMBL24156806 0.67 NOTUM (0.51) CYP11B2NOTUMFGFR4GRM5
SCHEMBL12076615 0.67 CYP11B2 (0.62) CYP11B2NOTUMGRM5
SCHEMBL23530252 0.67 CSNK2A1 (0.37) NOTUMFGFR4GRM5
SCHEMBL12415962 0.66 MAPT (0.46) FGFR4THRBGRM5
SCHEMBL12415966 0.66 MAPT (0.43) FGFR4
SCHEMBL2363782 0.66 KCNH2 (0.41) KCNH2EDNRBEDNRALTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9556201-B2 Bicyclic pyridines and analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-01-31 US disclosed
EP-2493888-B1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-04-06 EP disclosed
US-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2012-10-04 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-20120252780-A1 BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CYP11B2 483/4885NAAA 1344/4885NOTUM 3978/4885

“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.