SCHEMBL4255007

SCHEMBL4255007

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(OCc2ccccc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.64
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
POLB P06746 1/20 0.62
PDK1 Q15118 1/20 0.61
PDK2 Q15119 1/20 0.61
PDK3 Q15120 1/20 0.61
PDK4 Q16654 1/20 0.61
BAZ1A Q9NRL2 1/20 0.61
MAOB P27338 1/20 0.58
MAPT P10636 2/20 0.58
HTT P42858 2/20 0.58
F10 P00742 2/20 0.58
EPHX2 P34913 2/20 0.58
MTOR P42345 1/20 0.57
MGLL Q99685 1/20 0.56
S1PR2 O95136 1/20 0.55
S1PR4 O95977 1/20 0.55

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
SCHEMBL28390021 0.89 MEN1 (0.71) PPIAMEN1KMT2ARAB9ANPC1
SCHEMBL4256172 0.88 MEN1 (0.67) PPIAMEN1KMT2ARAB9ANPC1
SCHEMBL4874500 0.85 PDK1 (0.58) PPIAMEN1KMT2ARAB9ANPC1
SCHEMBL5104712 0.85 MEN1 (0.64) PPIAMEN1KMT2ARAB9ANPC1
SCHEMBL4260471 0.84 KDR (0.67) MEN1KMT2ARAB9ANPC1BAZ1A
SCHEMBL4884248 0.83 PDK1 (0.56) PPIAPDK1PDK2PDK3PDK4
SCHEMBL21497178 0.83 MAOB (0.71) MEN1KMT2ARAB9ANPC1PDK1
SCHEMBL13956782 0.82 MEN1 (0.69) MEN1KMT2ARAB9ANPC1POLB
SCHEMBL2434151 0.81 PPIA (0.61) PPIAMEN1KMT2ARAB9APOLB
SCHEMBL14086749 0.81 PDK1 (0.53) PPIARAB9ANPC1PDK1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-01-22 US claimed
US-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-01-22 US disclosed
US-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2009-01-22 US disclosed
WO-2008116145-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-25 WO disclosed
WO-2008116145-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-09-25 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-20090023731-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 PPIA 1728/4885MEN1 4139/4885KMT2A 3308/4885

“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.