SCHEMBL6076930

SCHEMBL6076930

O=c1cc(C(F)(F)F)c2cc(NC(=S)Nc3ccc(Cl)cc3)ccc2o1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.52
CA9 Q16790 4/20 0.51
CA12 O43570 2/20 0.51
MCL1 Q07820 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AR P10275 2/20 0.45
HSD17B3 P37058 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41

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
SCHEMBL6077742 0.89 MAP2K1 (0.53) MAP2K1CA9CA12MCL1KDM4E
SCHEMBL6077814 0.89 CA9 (0.56) MAP2K1CA9CA12MCL1KDM4E
SCHEMBL6076379 0.89 MAP2K1 (0.53) MAP2K1CA9CA12MCL1KDM4E
SCHEMBL6078589 0.89 MAP2K1 (0.53) MAP2K1CA9CA12MCL1KDM4E
SCHEMBL6078051 0.88 MAP2K1 (0.55) MAP2K1CA9CA12MCL1KDM4E
SCHEMBL6078482 0.86 MAPT (0.52) MAP2K1CA9CA12KDM4EMAPT
SCHEMBL6077260 0.85 CA9 (0.61) MAP2K1CA9KDM4EMAPTGAA
SCHEMBL6082296 0.83 MAP2K1 (0.56) MAP2K1CA9CA12MCL1KDM4E
SCHEMBL6077813 0.81 MAP2K1 (0.50) MAP2K1CA9CA12KDM4EMAPT
SCHEMBL6076371 0.81 CA9 (0.55) MAP2K1CA9CA12MCL1KDM4E

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
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
EP-1603882-A2 UREA AND THIOUREA DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP disclosed
US-20040266820-A1 Urea and thiourea derivatives DU DANIEL Y (US) 2004-12-30 US disclosed
WO-2004072044-A2 UREA AND THIOUREA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 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-20040266820-A1 Urea and thiourea derivatives SHBG, ZP1, ZYX MAP2K1 3471/4885CA9 1294/4885CA12 1754/4885

“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.