SCHEMBL4197586

SCHEMBL4197586

O=C(NCc1ccc(Cl)cc1Cl)c1ccnc(OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
EPHX2 P34913 3/20 0.51
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
NLRP1 Q9C000 1/20 0.51
HTT P42858 2/20 0.50
POLB P06746 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4185414 0.84 LMNA (0.58) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4199501 0.84 TSHR (0.64) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4194897 0.83 LMNA (0.56) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL13876096 0.82 EPHX2 (0.74) TSHRTP53EPHX2LMNAMAPK1
SCHEMBL4178412 0.80 TSHR (0.52) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4197655 0.78 GRM5 (0.57) TSHRNPC1EPHX2LMNAMAPK1
SCHEMBL4197019 0.78 EPHX2 (0.51) TSHRNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4189403 0.78 TSHR (0.61) TSHRALDH1A1EPHX2LMNAMAPK1
SCHEMBL5213545 0.78 TSHR (0.72) TSHREPHX2LMNAMAPK1NLRP1
SCHEMBL4192919 0.78 EPHX2 (0.52) 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 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 TSHR 4438/4885NPC1 1396/4885RAB9A 2900/4885

“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.