SCHEMBL5948060

SCHEMBL5948060

O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Cl)nc1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.72
NPC1 O15118 1/20 0.67
RAB9A P51151 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.63
GLP1R P43220 1/20 0.60
GCGR P47871 1/20 0.60
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MDM4 O15151 1/20 0.51
TP53 P04637 1/20 0.51
MDM2 Q00987 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51

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
SCHEMBL4918238 0.85 EPHX2 (0.74) EPHX2SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL19554663 0.84 EPHX2 (0.72) EPHX2SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL4618267 0.84 EPHX2 (1.00) EPHX2CYP2C9CYP2C19LMNAHPGD
SCHEMBL30195673 0.84 EPHX2 (1.00) EPHX2CYP2C9CYP2C19LMNAHPGD
SCHEMBL5947733 0.84 EPHX2 (1.00) EPHX2SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL3407375 0.82 SMN1; SMN2 (0.60) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL4618812 0.81 EPHX2 (0.79) EPHX2CYP2C9CYP2C19LMNAMEN1
SCHEMBL7703395 0.81 RAB9A (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1LMNA
SCHEMBL19569935 0.81 EPHX2 (0.71) EPHX2SMN1; SMN2CYP2C9CYP2C19LMNA
SCHEMBL5947692 0.81 EPHX2 (0.71) EPHX2CYP2C9CYP2C19LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-07 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-20060276515-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 EPHX2 2/4885NPC1 1489/4885RAB9A 3811/4885

“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.