SCHEMBL3960573

SCHEMBL3960573

O=C(Nc1cccc(F)c1)NC1CCN(S(=O)(=O)c2ccccc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.79
MEN1 O00255 7/20 0.79
MAPT P10636 3/20 0.79
XBP1 P17861 1/20 0.70
HTT P42858 1/20 0.70
ALDH1A1 P00352 4/20 0.65
POLB P06746 2/20 0.65
PKM P14618 1/20 0.64
TSHR P16473 1/20 0.64
EPHX2 P34913 2/20 0.63
SMN1; SMN2 Q16637 4/20 0.62
GAA P10253 2/20 0.62
LMNA P02545 1/20 0.62
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
USP2 O75604 2/20 0.60
CYP2C9 P11712 2/20 0.60
HIF1A Q16665 1/20 0.60
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL3961059 0.90 KMT2A (0.78) KMT2AMEN1MAPTXBP1HTT
SCHEMBL3959067 0.88 MAPT (0.80) KMT2AMEN1MAPTXBP1HTT
SCHEMBL14085440 0.88 KMT2A (0.68) KMT2AMEN1MAPTXBP1HTT
SCHEMBL3964613 0.87 MEN1 (0.79) KMT2AMEN1MAPTXBP1HTT
SCHEMBL3963869 0.86 MAPT (0.85) KMT2AMEN1MAPTXBP1HTT
SCHEMBL3960566 0.85 KMT2A (0.70) KMT2AMEN1MAPTXBP1HTT
SCHEMBL1425676 0.81 KMT2A (0.89) KMT2AMEN1MAPTXBP1HTT
SCHEMBL27764417 0.81 MAPT (0.83) KMT2AMEN1MAPTXBP1HTT
SCHEMBL10825736 0.80 RAB9A (0.86) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL3956807 0.80 EPHX1 (0.76) KMT2AMEN1MAPTXBP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US claimed
CN-101535259-A Phenylurea compounds as soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC (US) 2009-09-16 CN claimed
EP-2079695-A2 PHENYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-07-22 EP claimed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO claimed
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-11 US claimed
WO-2008051873-A2 PHENYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-05-02 WO claimed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
US-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. 2009-10-01 US disclosed
CN-101535259-A Phenylurea compounds as soluble epoxide hydrolase inhibitors ARETE THERAPEUTICS INC (US) 2009-09-16 CN disclosed
EP-2079695-A2 PHENYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-07-22 EP disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
WO-2009086426-A2 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION ARETE THERAPEUTICS, INC. (US) 2009-07-09 WO disclosed
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-11 US disclosed
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-11 US disclosed
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-09-11 US disclosed
WO-2008051873-A2 PHENYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-05-02 WO disclosed
WO-2008051873-A2 PHENYLUREA COMPOUNDS AS SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-05-02 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 (2 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-20090247521-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS FOR THE TREATMENT OF ENDOTHELIAL DYSFUNCTION EPHX1, ECE1, LIPG KMT2A 4287/4885MEN1 4861/4885MAPT 3633/4885
US-20080221100-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 KMT2A 3884/4885MEN1 3797/4885MAPT 3982/4885

“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.