SCHEMBL6077073

SCHEMBL6077073

COc1ccc(CN(S)C(=O)Nc2ccc3oc(=O)cc(C(F)(F)F)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.50
ALDH1A1 P00352 3/20 0.50
MAP2K1 Q02750 1/20 0.47
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.41
ATM Q13315 1/20 0.41
AGER Q15109 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACHE P22303 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL6077069 0.79 ALDH1A1 (0.55) ARALDH1A1MAPTKDM4EKMT2A
SCHEMBL6077260 0.79 CA9 (0.61) ARALDH1A1MAP2K1MAPTKDM4E
SCHEMBL6078620 0.73 KMT2A (0.55) ARALDH1A1MAP2K1MAPTKDM4E
SCHEMBL6078541 0.73 KMT2A (0.51) ALDH1A1MAP2K1MAPTKMT2AMEN1
SCHEMBL6077634 0.72 MAP2K1 (0.51) ARMAP2K1KMT2AAGERCA12
SCHEMBL6078413 0.72 EPHX2 (0.57) ARALDH1A1MAP2K1MAPTKMT2A
SCHEMBL6076717 0.72 CA9 (0.49) ARALDH1A1MAP2K1MAPTKDM4E
SCHEMBL6077592 0.72 ALDH1A1 (0.52) ALDH1A1MAP2K1MAPTKDM4EKMT2A
SCHEMBL6081603 0.72 MAP2K1 (0.61) ARALDH1A1MAP2K1KDM4EKMT2A
SCHEMBL6078018 0.69 ALDH1A1 (0.62) ALDH1A1MAPTKDM4EKMT2AMEN1

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 25/4885ALDH1A1 4212/4885MAP2K1 3471/4885

“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.