SCHEMBL13876205

SCHEMBL13876205

O=C(NCc1ccccc1OC(F)(F)F)c1ccc(-c2ccccc2OC(F)(F)F)nc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.66
HDAC3 O15379 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ROCK2 O75116 2/20 0.55
ROCK1 Q13464 1/20 0.55
PPARG P37231 2/20 0.53
RIPK1 Q13546 1/20 0.51
HSD17B13 Q7Z5P4 3/20 0.47
POLB P06746 1/20 0.47
HPGDS O60760 2/20 0.46
RORC P51449 1/20 0.46
NTRK1 P04629 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2J2 P51589 1/20 0.44
ALOX5 P09917 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
SCHEMBL13876184 0.86 EPHX2 (0.60) EPHX2ROCK2ROCK1RORC
SCHEMBL3710899 0.84 EPHX2 (0.69) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13876203 0.83 EPHX2 (0.60) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13876207 0.83 EPHX2 (0.60) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13876240 0.83 EPHX2 (0.51) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL3714870 0.82 EPHX2 (0.69) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13876226 0.81 EPHX2 (0.61) EPHX2ROCK2ROCK1RORC
SCHEMBL4183561 0.81 EPHX2 (0.81) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13876478 0.81 EPHX2 (0.63) EPHX2HDAC3HDAC1HDAC2HDAC6
SCHEMBL13876472 0.80 EPHX2 (0.62) EPHX2HDAC3HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 US disclosed
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885HDAC3 2760/4885HDAC1 1984/4885

“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.