SCHEMBL3833306

SCHEMBL3833306

CCc1cc(-c2cccnc2)nn1-c1ccc(NC(=O)c2cccnc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 1.00
RAB9A P51151 7/20 0.58
SMN1; SMN2 Q16637 6/20 0.58
NPC1 O15118 5/20 0.58
MAPT P10636 3/20 0.53
GFER P55789 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
GAA P10253 2/20 0.52
TP53 P04637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
KHK P50053 1/20 0.48

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
SCHEMBL5207748 0.82 EPHX2 (0.69) EPHX2MAPTALDH1A1ROCK1
SCHEMBL7631574 0.81 EPHX2 (0.68) EPHX2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8496442 0.80 EPHX2 (0.67) EPHX2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7238788 0.79 USP8 (0.65) EPHX2MAPTGAAALDH1A1
SCHEMBL7234775 0.79 EPHX2 (0.64) EPHX2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL14409313 0.78 EPHX2 (0.62) EPHX2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7240124 0.77 EPHX2 (0.63) EPHX2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8495561 0.76 EPHX2 (0.61) EPHX2MAPTGAAALDH1A1
SCHEMBL6991668 0.76 RAB9A (0.62) EPHX2RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL7234788 0.76 EPHX2 (0.61) EPHX2MAPTALDH1A1

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101563088-A Novel use of inhibitors of soluble epoxide hydrolase HOFFMANN LA ROCHE (CH) 2009-10-21 CN claimed
EP-2091542-A1 NOVEL USE OF INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F. Hoffmann-Roche AG (CH) 2009-08-26 EP claimed
US-20090082402-A1 Methods of treating genitourinary disorders using inhibitors of soluble epoxide hydrolase ROCHE PALO ALTO LLC 2009-03-26 US claimed
WO-2008074678-A1 NOVEL USE OF INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F. HOFFMANN-LA ROCHE AG (CH) 2008-06-26 WO claimed
EP-1406892-B1 PHENYL PYRAZOLE DERIVATIVES AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2007-09-05 EP claimed
US-20040092567-A1 Methods of using soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC 2004-05-13 US claimed
EP-1406892-A1 PHENYL PYRAZOLE DERIVATIVES AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-04-14 EP claimed
US-20030022929-A1 Method of using soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-30 US claimed
US-6506747-B1 Method of treating an inflammatory disease which comprises administering to a patient in need of such treatment-a N-(4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl)pyridine-3-carboxamide; BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US claimed
WO-2003002555-A1 METHODS OF USING SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-01-09 WO claimed
WO-2000023060-A2 METHOD OF TREATING IMMUNOLOGICAL DISORDERS MEDIATED BY T-LYMPHOCYTES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2000-04-27 WO claimed
CN-101563088-A Novel use of inhibitors of soluble epoxide hydrolase HOFFMANN LA ROCHE (CH) 2009-10-21 CN disclosed
EP-2091542-A1 NOVEL USE OF INHIBITORS OF SOLUBLE EPOXIDE HYDROLASE F. Hoffmann-Roche AG (CH) 2009-08-26 EP disclosed
US-20090082402-A1 Methods of treating genitourinary disorders using inhibitors of soluble epoxide hydrolase ROCHE PALO ALTO LLC 2009-03-26 US disclosed
US-20090082402-A1 Methods of treating genitourinary disorders using inhibitors of soluble epoxide hydrolase ROCHE PALO ALTO LLC 2009-03-26 US disclosed
EP-1406892-A1 PHENYL PYRAZOLE DERIVATIVES AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-04-14 EP disclosed
US-20030022929-A1 Method of using soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-30 US disclosed
US-6506747-B1 Method of treating an inflammatory disease which comprises administering to a patient in need of such treatment-a N-(4-(5-Ethyl-3-pyridin-3-yl-pyrazol-1-yl)phenyl)pyridine-3-carboxamide; BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-01-14 US disclosed
WO-2003002555-A1 METHODS OF USING SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-01-09 WO disclosed
WO-1999062885-A1 SUBSTITUTED 1-(4-AMINOPHENYL)PYRAZOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1999-12-09 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 (3 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-20030022929-A1 Method of using soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885RAB9A 3716/4885SMN1; SMN2 3759/4885
US-20090082402-A1 Methods of treating genitourinary disorders using inhibitors of soluble epoxide hydrolase EPHX1, EPHX2, FOLH1 EPHX2 2/4885RAB9A 3600/4885SMN1; SMN2 2235/4885
US-20040092567-A1 Methods of using soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885RAB9A 4054/4885SMN1; SMN2 3558/4885

“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.