SCHEMBL4057629

SCHEMBL4057629

O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.61
RAB9A P51151 5/20 0.61
KMT2A Q03164 8/20 0.54
MEN1 O00255 6/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
EPHX1 P07099 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
SLC6A2 P23975 1/20 0.54
PDE4A P27815 1/20 0.54
EPHX2 P34913 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRM1 P35372 1/20 0.54
PDE3A Q14432 1/20 0.54
NLRP3 Q96P20 1/20 0.54
CNR1 P21554 9/20 0.49
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 3/20 0.47
MAPK1 P28482 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
SCHEMBL19678085 0.87 KIT (0.56) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL19668020 0.85 RAB9A (0.51) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL19668353 0.83 ADORA3 (0.48) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL31317846 0.83 ADORA3 (0.48) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL4053608 0.83 EPHX2 (0.61) RAB9AKMT2AMEN1HTTEPHX2
SCHEMBL19668006 0.81 KDR (0.70) KMT2AMEN1HTT
SCHEMBL30412355 0.81 KDR (0.70) KMT2AMEN1HTT
SCHEMBL26633294 0.80 ADORA3 (0.51) NPC1RAB9AADORA3SMN1; SMN2MAPT
SCHEMBL15553344 0.78 BRAF (0.58) NPC1RAB9AADORA3SMN1; SMN2MAPT
SCHEMBL19668024 0.78 ATM (0.64) NPC1RAB9AKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US claimed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
US-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-03-26 US disclosed
WO-2009035951-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 WO disclosed
WO-2009035951-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2009-03-19 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-20090082395-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, LTA4H NPC1 1965/4885RAB9A 3264/4885KMT2A 2360/4885

“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.