SCHEMBL16495995

SCHEMBL16495995

COC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1ccc(-c2ccccc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
RAB9A P51151 1/20 0.55
HPGDS O60760 10/20 0.53
GABRA5 P31644 1/20 0.53
BAZ2B Q9UIF8 1/20 0.51
NOS2 P35228 1/20 0.51
TACR3 P29371 1/20 0.51
PYGL P06737 1/20 0.49
PSMB10 P40306 1/20 0.47
PSMB2 P49721 1/20 0.47
CDK2 P24941 1/20 0.47
LNPEP Q9UIQ6 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
SCHEMBL16495994 1.00 GAA (0.55) GAARAB9AHPGDSGABRA5BAZ2B
SCHEMBL16495704 0.91 NOS2 (0.54) GAARAB9AHPGDSGABRA5NOS2
SCHEMBL16495705 0.91 NOS2 (0.54) GAARAB9AHPGDSGABRA5NOS2
SCHEMBL16495907 0.88 ROCK2 (0.51) GAARAB9AHPGDSGABRA5LNPEP
SCHEMBL16495420 0.88 HPGDS (0.48) GAARAB9AHPGDSGABRA5NOS2
SCHEMBL16495908 0.88 ROCK2 (0.51) GAARAB9AHPGDSGABRA5LNPEP
SCHEMBL16495422 0.88 HPGDS (0.48) GAARAB9AHPGDSGABRA5NOS2
SCHEMBL6029369 0.85 GAA (0.64) GAARAB9AHPGDSGABRA5BAZ2B
SCHEMBL28603072 0.84 GAA (0.71) GAARAB9ANOS2PYGL
SCHEMBL6029601 0.83 RAB9A (0.64) GAARAB9AHPGDSGABRA5NOS2

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 GAA 887/4885RAB9A 2122/4885HPGDS 1073/4885

“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.