SCHEMBL16495686

SCHEMBL16495686

COc1ccc(CNC(=O)c2ccc(-c3cccc(F)c3)nc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
STAMBP O95630 1/20 0.56
COPS5 Q92905 1/20 0.56
MAPT P10636 2/20 0.53
KDM1A O60341 4/20 0.53
HDAC1 Q13547 4/20 0.53
TP53 P04637 2/20 0.52
ERN1 O75460 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
POLB P06746 1/20 0.51
MMP13 P45452 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 2/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL16495481 0.91 HPGDS (0.59) HPGDSSTAMBPCOPS5KMT2A
SCHEMBL16495431 0.90 HPGDS (0.61) HPGDSNPC1RAB9ASTAMBPCOPS5
SCHEMBL16496286 0.89 ROCK1 (0.58) HPGDSMAPTTP53MMP13CYP3A4
SCHEMBL16496190 0.88 HPGDS (0.61) HPGDSSTAMBPCOPS5KDM1AHDAC1
SCHEMBL16496156 0.88 NPC1 (0.55) HPGDSNPC1RAB9AMAPTTP53
SCHEMBL16496148 0.87 TRPV1 (0.47) HPGDSNPC1RAB9ASTAMBPCOPS5
SCHEMBL16495407 0.87 MAPT (0.62) HPGDSNPC1RAB9ASTAMBPCOPS5
SCHEMBL16495630 0.87 HPGDS (0.77) HPGDSCOPS5
SCHEMBL16496009 0.87 HPGDS (0.77) HPGDSNPC1RAB9ASTAMBPCOPS5
SCHEMBL16495855 0.86 HPGDS (0.61) HPGDSSTAMBPCOPS5TP53POLB

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 236/4885RAB9A 2122/4885

“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.