SCHEMBL16990657

SCHEMBL16990657

O=C(NCc1ccc(Oc2ccncc2)cc1)Nc1ccc(Cl)cc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.60
CYP3A4 P08684 1/20 0.51
MAPK14 Q16539 1/20 0.51
ALDH1A1 P00352 1/20 0.50
NAMPT P43490 4/20 0.49
TRPV1 Q8NER1 4/20 0.48
EPHX2 P34913 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL15573134 0.87 HTT (0.80) HTTCYP3A4MAPK14ALDH1A1NAMPT
SCHEMBL15573132 0.85 HTT (0.62) HTTCYP3A4MAPK14ALDH1A1NAMPT
SCHEMBL15574688 0.84 HTT (0.65) HTTCYP3A4MAPK14ALDH1A1NAMPT
SCHEMBL15574779 0.84 TRPV1 (0.54) HTTCYP3A4MAPK14ALDH1A1NAMPT
SCHEMBL16990678 0.84 HTT (0.58) HTTCYP3A4MAPK14ALDH1A1NAMPT
SCHEMBL15575242 0.83 CYP3A4 (0.62) HTTCYP3A4MAPK14ALDH1A1NAMPT
SCHEMBL16990686 0.82 NAMPT (0.55) HTTCYP3A4MAPK14ALDH1A1NAMPT
SCHEMBL104548 0.82 CA7 (0.63) MAPK14NAMPTEPHX2
SCHEMBL16990726 0.81 ALDH1A1 (0.61) HTTCYP3A4MAPK14ALDH1A1NAMPT
SCHEMBL16990673 0.81 NAMPT (0.61) MAPK14NAMPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US claimed
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 US disclosed
US-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 HTT 3579/4885CYP3A4 4843/4885MAPK14 455/4885

“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.