SCHEMBL6097018

SCHEMBL6097018

COc1cccc(CNC(=S)Nc2ccc(Cc3ccc4[nH]c(=O)cc(C(F)(F)F)c4c3)cc2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.49
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
AR P10275 8/20 0.41
ROCK2 O75116 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
HIF1A Q16665 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL6094713 0.90 QPCT (0.42) QPCTALDH1A1LMNAHPGDAR
SCHEMBL6096236 0.84 ALDH1A1 (0.54) QPCTALDH1A1LMNACYP2C9HPGD
SCHEMBL6096595 0.82 AR (0.53) ALDH1A1LMNACYP2C9HPGDAR
SCHEMBL6095163 0.81 MEN1 (0.52) QPCTALDH1A1LMNACYP2C9HPGD
SCHEMBL6098243 0.80 LMNA (0.56) LMNACYP2C9HPGDARGAA
SCHEMBL6095168 0.78 LMNA (0.48) LMNACYP2C9HPGDAR
SCHEMBL6097934 0.77 KDM4E (0.54) QPCTALDH1A1LMNACYP2C9HPGD
SCHEMBL6096023 0.77 SMN1; SMN2 (0.56) QPCTALDH1A1LMNAGAAMAPT
SCHEMBL6097863 0.77 ALDH1A1 (0.56) ALDH1A1LMNACYP2C9HPGDAR
SCHEMBL6097519 0.76 LMNA (0.50) ALDH1A1LMNACYP2C9HPGDAR

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 QPCT 749/4885ALDH1A1 1968/4885LMNA 4794/4885

“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.