SCHEMBL6097934

SCHEMBL6097934

O=c1cc(C(F)(F)F)c2cc(Cc3ccc(NC(=S)NCCc4ccccc4)cc3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
RAB9A P51151 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
NPC1 O15118 1/20 0.47
AR P10275 7/20 0.47
MAPT P10636 6/20 0.47
LMNA P02545 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
DUSP3 P51452 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
SCHEMBL6097519 0.92 LMNA (0.50) KDM4ERAB9ANPC1ARMAPT
SCHEMBL6096544 0.92 MAPT (0.51) KDM4EARMAPTLMNAALDH1A1
SCHEMBL6096595 0.91 AR (0.53) RAB9AMAOAMAOBARMAPT
SCHEMBL6098331 0.87 KDM4E (0.46) KDM4ERAB9ANPC1ARMAPT
SCHEMBL6098243 0.84 LMNA (0.56) KDM4EARLMNAGAACYP2C9
SCHEMBL6095168 0.84 LMNA (0.48) KDM4EARLMNACYP2C9HPGD
SCHEMBL6077930 0.84 MAPT (0.52) KDM4EARMAPTLMNAALDH1A1
SCHEMBL6079160 0.84 AR (0.54) KDM4EARMAPTALDH1A1MEN1
SCHEMBL6095163 0.82 MEN1 (0.52) ARMAPTLMNAALDH1A1MEN1
SCHEMBL5761325 0.82 AR (0.61) AR

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 5 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
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 1959/4885RAB9A 3868/4885MAOA 3412/4885

“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.