SCHEMBL6078413

SCHEMBL6078413

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc2oc(=O)cc(C(F)(F)F)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.57
MAP2K1 Q02750 1/20 0.53
AR P10275 1/20 0.51
CA9 Q16790 2/20 0.48
P2RY1 P47900 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
CASP3 P42574 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
FAAH O00519 1/20 0.47
HSPA9 P38646 1/20 0.47
IGF1R P08069 1/20 0.47
AGER Q15109 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL6077634 0.87 MAP2K1 (0.51) MAP2K1ARCA9KMT2AAGER
SCHEMBL6078620 0.86 KMT2A (0.55) MAP2K1ARCA9KMT2AMEN1
SCHEMBL6077814 0.85 CA9 (0.56) EPHX2MAP2K1ARCA9KMT2A
SCHEMBL6076371 0.81 CA9 (0.55) MAP2K1ARCA9P2RY1KMT2A
SCHEMBL6081603 0.79 MAP2K1 (0.61) MAP2K1ARCA9KMT2AMEN1
SCHEMBL6077260 0.79 CA9 (0.61) MAP2K1ARCA9KMT2AMEN1
SCHEMBL6082296 0.76 MAP2K1 (0.56) MAP2K1ARCA9KMT2AMEN1
SCHEMBL11555827 0.75 EPHX2 (1.00) EPHX2KMT2AMEN1TP53MAPT
SCHEMBL6076379 0.75 MAP2K1 (0.53) MAP2K1ARCA9KMT2AMEN1
SCHEMBL6078589 0.75 MAP2K1 (0.53) MAP2K1ARCA9KMT2AMEN1

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-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US claimed
EP-1603882-A2 UREA AND THIOUREA DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP claimed
WO-2004072044-A2 UREA AND THIOUREA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 WO claimed
US-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
US-20040266820-A1 Urea and thiourea derivatives DU DANIEL Y (US) 2004-12-30 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-20040266820-A1 Urea and thiourea derivatives SHBG, ZP1, ZYX EPHX2 2337/4885MAP2K1 3471/4885AR 25/4885

“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.