SCHEMBL6097863

SCHEMBL6097863

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
AR P10275 12/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 2/20 0.42
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL6097336 0.91 HTT (0.50) ALDH1A1MEN1KMT2AGAALMNA
SCHEMBL6097122 0.90 AR (0.44) ALDH1A1ARKMT2ALMNACYP2C9
SCHEMBL6097463 0.90 SMN1; SMN2 (0.45) ALDH1A1ARMEN1KMT2AGAA
SCHEMBL6095919 0.90 AR (0.45) ALDH1A1ARLMNACYP2C9HPGD
SCHEMBL6095079 0.84 AR (0.43) ALDH1A1ARGAALMNACYP2C9
SCHEMBL6096236 0.83 ALDH1A1 (0.54) ALDH1A1ARMEN1KMT2AGAA
SCHEMBL6077777 0.83 AR (0.56) ALDH1A1ARMEN1KMT2AGAA
SCHEMBL6110711 0.82 AR (0.46) AR
SCHEMBL6094713 0.81 QPCT (0.42) ALDH1A1ARMEN1KMT2AGAA
SCHEMBL6095932 0.81 ALOX12 (0.47) ALDH1A1ARMEN1KMT2AGAA

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 ALDH1A1 1968/4885AR 9/4885MEN1 4659/4885

“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.