SCHEMBL6077590

SCHEMBL6077590

O=c1cc(C(F)(F)F)c2cc(NC(=S)NCCc3ccccc3)ccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.50
RAB9A P51151 4/20 0.49
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
MAP2K1 Q02750 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL6077812 0.90 MAP2K1 (0.47) MAPTALDH1A1LMNARAB9ANPC1
SCHEMBL6078482 0.90 MAPT (0.52) KDM4EMAPTALDH1A1LMNARAB9A
SCHEMBL6076379 0.85 MAP2K1 (0.53) KDM4EMAPTALDH1A1MEN1KMT2A
SCHEMBL6078018 0.84 ALDH1A1 (0.62) KDM4EMAPTALDH1A1LMNAMEN1
SCHEMBL6077798 0.81 RAB9A (0.53) KDM4EMAPTALDH1A1LMNARAB9A
SCHEMBL6079512 0.79 ALDH1A1 (0.53) KDM4EMAPTALDH1A1LMNARAB9A
SCHEMBL6077742 0.78 MAP2K1 (0.53) KDM4EMAPTALDH1A1MAOAMAOB
SCHEMBL6078589 0.78 MAP2K1 (0.53) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL6077069 0.77 ALDH1A1 (0.55) KDM4EMAPTALDH1A1LMNAMAOA
SCHEMBL6076930 0.77 MAP2K1 (0.52) KDM4EMAPTRAB9ANPC1KMT2A

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-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US claimed
EP-1603882-A2 UREA AND THIOUREA DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP claimed
WO-2004072044-A2 UREA AND THIOUREA DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2004-08-26 WO claimed
US-7074933-B2 Urea and thiourea derivatives WARNER LAMBERT COMPANY LLC (US) 2006-07-11 US disclosed
EP-1603882-A2 UREA AND THIOUREA DERIVATIVES Warner-Lambert Company LLC (US) 2005-12-14 EP disclosed
US-20040266820-A1 Urea and thiourea derivatives DU DANIEL Y (US) 2004-12-30 US disclosed
WO-2004072044-A2 UREA AND THIOUREA DERIVATIVES 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-20040266820-A1 Urea and thiourea derivatives SHBG, ZP1, ZYX KDM4E 153/4885MAPT 878/4885ALDH1A1 4212/4885

“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.