SCHEMBL16495484

SCHEMBL16495484

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.56
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
RORC P51449 1/20 0.48
MAPT P10636 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
FBP1 P09467 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CCR1 P32246 1/20 0.43
NAMPT P43490 1/20 0.43
POLB P06746 1/20 0.43
IDO1 P14902 1/20 0.43

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
SCHEMBL16495389 0.90 HPGDS (0.58) HPGDSCA1CA2RORCMAPT
SCHEMBL16496112 0.89 HPGDS (0.56) HPGDSRORCMAPTMEN1KMT2A
SCHEMBL16495531 0.89 CA2 (0.67) HPGDSCA1CA2MEN1KMT2A
SCHEMBL16496440 0.89 HPGDS (0.72) HPGDSCA1CA2RORCALDH1A1
SCHEMBL16495684 0.87 HPGDS (0.53) HPGDSRORCMAPTALDH1A1MEN1
SCHEMBL16495662 0.87 HPGDS (0.65) HPGDSCA1CA2NAMPT
SCHEMBL16495479 0.85 HPGDS (0.77) HPGDSALDH1A1
SCHEMBL16495648 0.84 HPGDS (0.61) HPGDSCA1CA2
SCHEMBL16496197 0.84 HPGDS (0.61) HPGDSMEN1KMT2ANAMPTPOLB
SCHEMBL16495588 0.84 HPGDS (0.61) HPGDSMEN1KMT2A

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 1073/4885CA1 3744/4885CA2 1285/4885

“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.