SCHEMBL13876172

SCHEMBL13876172

O=C(NCc1ccc(Cl)cc1Cl)c1cccc(Oc2ncccn2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
EPHX2 P34913 7/20 0.53
LMNA P02545 3/20 0.52
MAPK1 P28482 1/20 0.50
NLRP1 Q9C000 1/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CYP2J2 P51589 1/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX5 P09917 1/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
PPARG P37231 1/20 0.47
F10 P00742 1/20 0.47
HPGD P15428 2/20 0.47
GAA P10253 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
SCHEMBL13876171 0.89 TSHR (0.61) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL13876216 0.86 EPHX2 (0.52) TSHREPHX2LMNAMEN1KMT2A
SCHEMBL5645070 0.80 LMNA (0.64) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL13876173 0.80 TP53 (0.56) EPHX2LMNAMAPK1NLRP1ALOX5
SCHEMBL4187148 0.79 EPHX2 (0.52) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL14456734 0.78 KMT2A (0.51) NR4A1NR4A2NR4A3CYP2C9CYP2C19
SCHEMBL4199501 0.77 TSHR (0.64) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL5646507 0.76 LMNA (0.70) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL13876106 0.76 EPHX2 (0.53) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4197655 0.76 GRM5 (0.57) TSHREPHX2LMNAMAPK1NLRP1

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 TSHR 4438/4885EPHX2 2/4885LMNA 2116/4885

“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.