SCHEMBL522980

SCHEMBL522980

CN(C)c1cc(CN)nc(CN)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.37
APP P05067 1/20 0.37
TSHR P16473 3/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 1/20 0.33
NOS1 P29475 3/20 0.33
NOS3 P29474 2/20 0.33
CYP3A4 P08684 2/20 0.32
MAPK1 P28482 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
CHRM5 P08912 1/20 0.32
CHKA P35790 1/20 0.32
APAF1 O14727 1/20 0.32
NOS2 P35228 1/20 0.32
PSMB5 P28074 1/20 0.31

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
SCHEMBL28685538 0.78 NOS3 (0.40) TERTAPPTSHRALDH1A1ALOX15
SCHEMBL9636530 0.76 TERT (0.37) TERTAPPTSHRALDH1A1ALOX15
SCHEMBL29907776 0.74 KDM4E (0.46) TERTAPPLOXL2ALDH1A1CHRM5
SCHEMBL15211555 0.74 KDM4E (0.46) TERTAPPLOXL2ALDH1A1CHRM5
SCHEMBL521804 0.72 NOS2 (0.48) NOS1NOS3NOS2
SCHEMBL3509325 0.70 TSHR (0.39) TSHRLOXL2ALDH1A1ALOX15HSD17B10
SCHEMBL12273589 0.70 ALDH1A1 (0.39) TSHRLOXL2ALDH1A1ALOX15HSD17B10
SCHEMBL9637847 0.69 KCNH2 (0.37) TSHRLOXL2ALDH1A1NOS3CYP3A4
SCHEMBL5555345 0.69 LOXL2 (0.39) LOXL2
SCHEMBL22606936 0.67 HTR6 (0.38) PSMB5

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
EP-2415742-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 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-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 TERT 765/4885APP 2706/4885TSHR 2411/4885

“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.