SCHEMBL16495372

SCHEMBL16495372

COc1cccc(-c2ccc(C(=O)Nc3ccccc3)cn2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.64
PRKDC P78527 1/20 0.63
ATR Q13535 1/20 0.63
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
KMT2A Q03164 5/20 0.59
MEN1 O00255 4/20 0.59
POLB P06746 1/20 0.59
NLRP3 Q96P20 1/20 0.59
PLAU P00749 2/20 0.58
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
KCNK9 Q9NPC2 2/20 0.56
KCNK3 O14649 1/20 0.56
PLG P00747 1/20 0.56

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
SCHEMBL5934344 0.93 TRPV1 (0.71) TRPV1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL16495683 0.91 ROCK2 (0.61) TRPV1PRKDCATRNPC1SMN1; SMN2
SCHEMBL16496431 0.90 TP53 (0.65) TRPV1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5934783 0.90 CNR1 (0.58) TRPV1PRKDCATRNPC1RAB9A
SCHEMBL16495668 0.89 ALDH1A1 (0.69) ATRNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5934208 0.88 TP53 (0.68) TRPV1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6174432 0.88 MAPT (0.55) PRKDCATRNPC1RAB9ASMN1; SMN2
SCHEMBL5934638 0.88 TRPV1 (0.58) TRPV1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5934845 0.87 KCNK3 (0.60) TRPV1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5934270 0.87 TRPV1 (0.57) TRPV1NPC1RAB9ASMN1; SMN2KMT2A

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 TRPV1 116/4885PRKDC 4855/4885ATR 4692/4885

“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.