SCHEMBL6098331

SCHEMBL6098331

O=c1cc(C(F)(F)F)c2cc(Cc3ccccc3NC(=S)NCCc3ccccc3)ccc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 4/20 0.44
CYP2D6 P10635 4/20 0.44
CYP2C19 P33261 4/20 0.44
ALOX12 P18054 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HTT P42858 2/20 0.44
AR P10275 5/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 1/20 0.40
POLB P06746 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
SCHEMBL6097934 0.87 KDM4E (0.54) KDM4EALDH1A1LMNASMN1; SMN2CYP2C9
SCHEMBL6097122 0.87 AR (0.44) ALDH1A1LMNACYP2C9HPGDAR
SCHEMBL6095932 0.85 ALOX12 (0.47) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6110711 0.84 AR (0.46) AR
SCHEMBL6095919 0.83 AR (0.45) ALDH1A1LMNACYP2C9HPGDAR
SCHEMBL6097336 0.83 HTT (0.50) ALDH1A1ALOX12LMNASMN1; SMN2HPGD
SCHEMBL6110773 0.83 AR (0.49) AR
SCHEMBL6097024 0.81 ALOX12 (0.58) KDM4EALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL6094713 0.80 QPCT (0.42) KDM4EALDH1A1ALOX12LMNASMN1; SMN2
SCHEMBL6097863 0.80 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C19LMNACYP2C9

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 KDM4E 1959/4885ALDH1A1 1968/4885CYP1A2 200/4885

“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.