SCHEMBL6077481

SCHEMBL6077481

O=c1cc(C(F)(F)F)c2cc(NC(=S)Nc3cccc(C(F)(F)F)c3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.54
MAPT P10636 6/20 0.53
GAA P10253 5/20 0.53
ALDH1A1 P00352 4/20 0.53
NPSR1 Q6W5P4 4/20 0.53
TDP1 Q9NUW8 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 2/20 0.51
IDO1 P14902 1/20 0.51
KIF11 P52732 1/20 0.48

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
SCHEMBL6078896 0.90 AR (0.57) ARMAPTALDH1A1
SCHEMBL6079171 0.85 AR (0.53) ARMAPTGAAALDH1A1TDP1
SCHEMBL6076852 0.85 ALDH1A1 (0.57) ARMAPTALDH1A1
SCHEMBL6078211 0.84 AR (0.59) ARMAPTKMT2A
SCHEMBL6078283 0.83 AR (0.62) ARGAAKDM4E
SCHEMBL6077820 0.83 KMT2A (0.54) ARGAAKMT2AMEN1
SCHEMBL6077956 0.81 ALDH1A1 (0.60) ARMAPTALDH1A1L3MBTL1KMT2A
SCHEMBL6077777 0.81 AR (0.56) ARMAPTGAAALDH1A1TDP1
SCHEMBL6078156 0.81 AR (0.53) ARMAPTALDH1A1IDO1
SCHEMBL6081778 0.81 AR (0.61) AR

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 AR 25/4885MAPT 878/4885GAA 1989/4885

“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.