SCHEMBL16495669

SCHEMBL16495669

COc1ccccc1-c1nnc(CNC(=O)c2ccc(-c3cccc(F)c3)nc2)o1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.46
CNR1 P21554 1/20 0.46
GUSB P08236 1/20 0.44
ROCK2 O75116 3/20 0.44
HPGDS O60760 2/20 0.44
APLNR P35414 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ROCK1 Q13464 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX15 P16050 1/20 0.42
KDM1A O60341 2/20 0.41
HDAC1 Q13547 2/20 0.41

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
SCHEMBL16495349 0.92 TRPV1 (0.45) WNT3ACNR1GUSBROCK2HPGDS
SCHEMBL16495979 0.82 HPGDS (0.52) WNT3AROCK2HPGDSALDH1A1MEN1
SCHEMBL16496345 0.80 HPGDS (0.46) WNT3AHPGDSALDH1A1MEN1KMT2A
SCHEMBL16495435 0.79 HPGDS (0.56) HPGDSMAPT
SCHEMBL16496094 0.78 ROCK2 (0.58) WNT3AROCK2HPGDSROCK1
SCHEMBL19984789 0.78 APLNR (0.54) GUSBAPLNRALDH1A1MEN1KMT2A
SCHEMBL19984976 0.77 APLNR (0.54) ROCK2APLNRKMT2AROCK1MAPT
SCHEMBL16496174 0.77 HPGDS (0.48) HPGDSALDH1A1KMT2AMAPTHDAC1
SCHEMBL16495686 0.75 HPGDS (0.58) HPGDSKMT2AMAPTKDM1AHDAC1
SCHEMBL16495733 0.75 HPGDS (0.46) WNT3AHPGDSALDH1A1MAPT

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 WNT3A 3244/4885CNR1 500/4885GUSB 1149/4885

“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.