SCHEMBL16495657

SCHEMBL16495657

O=C(NCc1ccccc1)c1ccc(-c2ccccc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 7/20 1.00
L3MBTL1 Q9Y468 1/20 0.68
BAZ2B Q9UIF8 1/20 0.64
ALOX15 P16050 1/20 0.60
LDHA P00338 1/20 0.59
ROCK2 O75116 1/20 0.57
RPS6KA5 O75582 1/20 0.57
MAP4K4 O95819 1/20 0.57
PRKCG P05129 1/20 0.57
PRKACA P17612 1/20 0.57
RPS6KB1 P23443 1/20 0.57
MAPK1 P28482 1/20 0.57
AKT1 P31749 1/20 0.57
GSK3A P49840 1/20 0.57
GSK3B P49841 1/20 0.57
PRKX P51817 1/20 0.57
PRKCD Q05655 1/20 0.57
PRKG2 Q13237 1/20 0.57
ROCK1 Q13464 1/20 0.57
DYRK1A Q13627 1/20 0.57

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
SCHEMBL16495576 0.91 HPGDS (0.82) HPGDSL3MBTL1BAZ2BALOX15ROCK2
SCHEMBL16495652 0.91 HPGDS (0.82) HPGDSL3MBTL1BAZ2BALOX15LDHA
SCHEMBL16495596 0.91 HPGDS (0.82) HPGDSL3MBTL1BAZ2BLDHAHDAC2
SCHEMBL16496250 0.91 HPGDS (0.82) HPGDSL3MBTL1BAZ2BLDHAHDAC2
SCHEMBL16495963 0.88 HPGDS (0.79) HPGDSL3MBTL1BAZ2BALOX15LDHA
SCHEMBL16495842 0.87 HPGDS (0.77) HPGDSL3MBTL1BAZ2BROCK2ROCK1
SCHEMBL16495795 0.87 HPGDS (0.77) HPGDSL3MBTL1BAZ2BALOX15LDHA
SCHEMBL16495479 0.87 HPGDS (0.77) HPGDSL3MBTL1BAZ2BALOX15MAP4K4
SCHEMBL16495525 0.87 HPGDS (0.77) HPGDSL3MBTL1BAZ2BMMP13HDAC2
SCHEMBL16495630 0.87 HPGDS (0.77) HPGDSL3MBTL1BAZ2BALOX15MAP4K4

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 1073/4885L3MBTL1 4532/4885BAZ2B 1779/4885

“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.