SCHEMBL6097336

SCHEMBL6097336

COc1ccc(CNC(=S)Nc2ccccc2Cc2ccc3[nH]c(=O)cc(C(F)(F)F)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
ALDH1A1 P00352 6/20 0.46
ALOX12 P18054 3/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
MAOB P27338 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
SCHEMBL6097863 0.91 ALDH1A1 (0.56) ALDH1A1LMNAGAAMEN1KMT2A
SCHEMBL6095932 0.91 ALOX12 (0.47) HTTALDH1A1ALOX12LMNAGAA
SCHEMBL6097463 0.88 SMN1; SMN2 (0.45) HTTALDH1A1ALOX12LMNAGAA
SCHEMBL6094713 0.87 QPCT (0.42) ALDH1A1ALOX12LMNAGAASMN1; SMN2
SCHEMBL6096236 0.86 ALDH1A1 (0.54) HTTALDH1A1ALOX12LMNAGAA
SCHEMBL6097024 0.84 ALOX12 (0.58) HTTALDH1A1ALOX12LMNAGAA
SCHEMBL6098331 0.83 KDM4E (0.46) HTTALDH1A1ALOX12LMNAGAA
SCHEMBL6097122 0.82 AR (0.44) ALDH1A1LMNAKMT2AHPGDMAPT
SCHEMBL6095079 0.81 AR (0.43) HTTALDH1A1LMNAGAAHPGD
SCHEMBL6110711 0.81 AR (0.46)

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-7115745-B2 Benzyl urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-10-03 US claimed
EP-1597233-A1 BENZYL UREA AND THIOUREA DERIVATIVES USEFUL AS ANDROGEN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-11-23 EP claimed
WO-2004072043-A1 BENZYL UREA AND THIOUREA DERIVATIVES USEFUL AS ANDROGEN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 WO claimed
US-7115745-B2 Benzyl urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-10-03 US disclosed
EP-1597233-A1 BENZYL UREA AND THIOUREA DERIVATIVES USEFUL AS ANDROGEN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-11-23 EP disclosed
US-20050107427-A1 Benzyl urea and thiourea derivatives DU DANIEL Y (US) 2005-05-19 US disclosed
WO-2004072043-A1 BENZYL UREA AND THIOUREA DERIVATIVES USEFUL AS ANDROGEN ANTAGONISTS 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-20050107427-A1 Benzyl urea and thiourea derivatives BRDT, TAS2R8, FSHR HTT 2890/4885ALDH1A1 1968/4885ALOX12 2947/4885

“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.