SCHEMBL4183498

SCHEMBL4183498

O=C(NCc1ccc(Cl)cc1Cl)c1ccnc(OCCN2CCOCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.52
▸ P2RX7 Q99572 1/20 0.50
▸ KDM1A O60341 1/20 0.49
▸ HDAC1 Q13547 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.48
▸ TSHR P16473 2/20 0.47
▸ ROCK2 O75116 1/20 0.46
▸ ROCK1 Q13464 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CD274 Q9NZQ7 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2A13 Q16696 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
SCHEMBL4191388 0.87 EPHX2 (0.61) EPHX2P2RX7SIGMAR1TSHRALDH1A1
SCHEMBL4185414 0.79 LMNA (0.58) EPHX2P2RX7TSHRROCK2ROCK1
SCHEMBL4194897 0.78 LMNA (0.56) EPHX2P2RX7TSHRROCK2ROCK1
SCHEMBL13876096 0.76 EPHX2 (0.74) EPHX2TSHRROCK2ROCK1KCNH2
SCHEMBL20272070 0.76 SMN1; SMN2 (0.73) EPHX2P2RX7TSHRALDH1A1HTR1A
SCHEMBL4597642 0.76 SMN1; SMN2 (0.50) TSHRALDH1A1MAPTSMN1; SMN2
SCHEMBL4197586 0.75 TSHR (0.57) EPHX2P2RX7HDAC1TSHRALDH1A1
SCHEMBL3118354 0.75 GAA (0.48) KDM1ATSHRALDH1A1SMN1; SMN2
SCHEMBL4178412 0.74 TSHR (0.52) EPHX2TSHRROCK2ROCK1LMNA
SCHEMBL4199501 0.74 TSHR (0.64) EPHX2TSHRROCK2ROCK1LMNA

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-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
US-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-16 — — US disclosed
WO-2007098352-A2 SUBSTITUTED PYRIDINEAMIDE COMPOUNDS USEFUL AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-30 — — 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-20090099184-A1 Substituted pyridineamide compounds useful as soluble epoxide hydrolase inhibitors EPHX1, EPHX2, NCEH1 EPHX2 2/4885P2RX7 1271/4885KDM1A 1086/4885

“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.

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