SCHEMBL4126438

SCHEMBL4126438

O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cccc(-n2cnc(Cl)c2Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.55
AURKA O14965 1/20 0.55
AURKB Q96GD4 1/20 0.55
BAZ1A Q9NRL2 1/20 0.54
MTOR P42345 1/20 0.54
PTK2 Q05397 1/20 0.50
BRAF P15056 1/20 0.49
MAPK14 Q16539 1/20 0.49
TNNI3K Q59H18 1/20 0.49
EPHX2 P34913 6/20 0.49
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
CNR1 P21554 1/20 0.45

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
SCHEMBL4141522 0.90 EPHX2 (0.58) KDRAURKAAURKBBAZ1AMTOR
SCHEMBL13239824 0.81 PTK2 (0.56) KDRAURKAAURKBPTK2EPHX2
SCHEMBL4109941 0.81 PTK2 (0.63) KDRAURKAAURKBPTK2RAB9A
SCHEMBL3996811 0.78 BAZ1A (0.54) KDRAURKAAURKBBAZ1AMTOR
SCHEMBL3994281 0.76 EPHX2 (0.57) KDRAURKAAURKBBAZ1AMTOR
SCHEMBL161516 0.75 BAZ1A (0.71) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL4124542 0.74 PTK2 (0.71) KDRPTK2MAPK14MAPTMEN1
SCHEMBL4112679 0.71 PTK2 (0.50) PTK2MAPTMEN1HTTRAB9A
SCHEMBL4005092 0.71 EPHX2 (0.69) BAZ1AMTOREPHX2MAPTMEN1
SCHEMBL3946302 0.71 BAZ1A (1.00) KDRBAZ1AMTORBRAFMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2066642-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS Arete Therapeutics, INC. (US) 2009-06-10 EP claimed
WO-2008039794-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-04-03 WO claimed
US-20080076770-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-03-27 US claimed
WO-2008039794-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. (US) 2008-04-03 WO disclosed
US-20080076770-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-03-27 US disclosed
US-20080076770-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-03-27 US disclosed
US-20080076770-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS ARETE THERAPEUTICS, INC. 2008-03-27 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-20080076770-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS EPHX1, EPHX2, NCEH1 KDR 2070/4885AURKA 4786/4885AURKB 4489/4885

“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.