SCHEMBL4883098

SCHEMBL4883098

O=C(Nc1ccc(-n2ccnc2)cc1)C(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 2/20 0.53
HTT P42858 2/20 0.50
CYP3A4 P08684 1/20 0.50
BAZ2B Q9UIF8 1/20 0.50
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADH5 P11766 2/20 0.48
EPHX2 P34913 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ROCK1 Q13464 2/20 0.45
ABL1 P00519 1/20 0.45
F9 P00740 1/20 0.44
F10 P00742 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3994163 0.86 EPHX2 (0.61) CD38HTTCYP3A4BAZ2BKMT2A
SCHEMBL709619 0.80 LMNA (0.58) CD38HTTCYP3A4BAZ2BKMT2A
SCHEMBL4875475 0.79 ACP1 (0.52) CD38HTTCYP3A4BAZ2BKMT2A
SCHEMBL22661803 0.79 CYP3A4 (0.64) HTTCYP3A4BAZ2BKMT2AMAPT
SCHEMBL6794124 0.75 ALDH1A1 (0.53) CD38CYP3A4MAPTALDH1A1LMNA
SCHEMBL8770808 0.75 ROCK1 (0.60) HTTCYP3A4BAZ2BKMT2AMAPT
SCHEMBL1666107 0.75 ROCK1 (0.60) HTTCYP3A4BAZ2BKMT2AMAPT
SCHEMBL3994281 0.75 EPHX2 (0.57) CD38HTTKMT2AMAPTEPHX2
SCHEMBL13315310 0.73 ROCK1 (0.57) HTTCYP3A4BAZ2BKMT2AMAPT
SCHEMBL3380451 0.72 MAPT (0.63) HTTCYP3A4BAZ2BKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
US-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-08-21 US disclosed
WO-2008073623-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-06-19 WO 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-20080200467-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 CD38 3432/4885HTT 4722/4885CYP3A4 955/4885

“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.