SCHEMBL16495684

SCHEMBL16495684

CNS(=O)(=O)c1ccc(CNC(=O)c2ccc(-c3cccc(OC)c3)nc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.53
NPC1 O15118 2/20 0.50
PRKACA P17612 2/20 0.49
PRKX P51817 2/20 0.49
PRKCQ Q04759 2/20 0.49
ROCK1 Q13464 2/20 0.49
GRK5 P34947 1/20 0.49
AURKA O14965 1/20 0.48
MAPT P10636 1/20 0.48
MMP13 P45452 3/20 0.48
NAMPT P43490 1/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
STAMBP O95630 1/20 0.47
COPS5 Q92905 1/20 0.47
ROCK2 O75116 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL16495846 0.90 MAPK8 (0.55) HPGDSNPC1PRKACAPRKXPRKCQ
SCHEMBL16496284 0.90 CA2 (0.56) HPGDSNPC1PRKACAPRKXPRKCQ
SCHEMBL16495431 0.88 HPGDS (0.61) HPGDSNPC1PRKACAPRKXPRKCQ
SCHEMBL16495484 0.87 HPGDS (0.56) HPGDSMAPTNAMPTALDH1A1MEN1
SCHEMBL16496139 0.87 RORC (0.47) HPGDSMAPTNAMPTSTAMBPCOPS5
SCHEMBL16496112 0.87 HPGDS (0.56) HPGDSMAPTNAMPTMEN1KMT2A
SCHEMBL16495980 0.86 HPGDS (0.59) HPGDSNPC1PRKACAPRKXPRKCQ
SCHEMBL16495728 0.86 HPGDS (0.59) HPGDSNPC1PRKACAPRKXPRKCQ
SCHEMBL16496373 0.86 HPGDS (0.72) HPGDSNPC1PRKACAPRKXPRKCQ
SCHEMBL16496440 0.86 HPGDS (0.72) HPGDSNAMPTALDH1A1RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110306597-A1 Nicotinamide Derivatives CRAWFORTH JAMES MICHAEL (GB) 2011-12-15 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-20110306597-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 HPGDS 1073/4885NPC1 236/4885PRKACA 4265/4885

“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.