SCHEMBL6077592

SCHEMBL6077592

COc1ccc(NC(=S)Nc2ccc3oc(=O)cc(C(F)(F)F)c3c2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.52
HPGD P15428 2/20 0.52
MAPT P10636 3/20 0.50
CA9 Q16790 1/20 0.49
GAA P10253 4/20 0.47
QPCT Q16769 1/20 0.47
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAP2K1 Q02750 1/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL6076717 0.90 CA9 (0.49) ALDH1A1HPGDMAPTCA9GAA
SCHEMBL6077260 0.89 CA9 (0.61) ALDH1A1HPGDMAPTCA9GAA
SCHEMBL6078541 0.86 KMT2A (0.51) ALDH1A1MAPTCA9GAAMAP2K1
SCHEMBL6078522 0.81 ALDH1A1 (0.52) ALDH1A1HPGDMAPTGAAQPCT
SCHEMBL6077069 0.81 ALDH1A1 (0.55) ALDH1A1MAPTCA9GAAQPCT
SCHEMBL6078051 0.79 MAP2K1 (0.55) ALDH1A1MAPTCA9GAAMAP2K1
SCHEMBL6077813 0.79 MAP2K1 (0.50) ALDH1A1HPGDMAPTCA9GAA
SCHEMBL6076379 0.78 MAP2K1 (0.53) ALDH1A1HPGDMAPTCA9GAA
SCHEMBL6077742 0.78 MAP2K1 (0.53) ALDH1A1HPGDMAPTCA9GAA
SCHEMBL6078589 0.78 MAP2K1 (0.53) ALDH1A1HPGDCA9GAAMAP2K1

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 ALDH1A1 4212/4885HPGD 3962/4885MAPT 878/4885

“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.