SCHEMBL6096993

SCHEMBL6096993

Nc1ccccc1Cc1ccc2oc(=O)cc(C(F)(F)F)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
SRC P12931 1/20 0.48
HPGD P15428 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
KMT2A Q03164 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TLR9 Q9NR96 1/20 0.48
AR P10275 14/20 0.45
MCL1 Q07820 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP1B1 Q16678 1/20 0.42
NQO1 P15559 1/20 0.42
HSD17B3 P37058 1/20 0.42

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
SCHEMBL5756955 0.83 AR (0.55) KDM4EMEN1ALDH1A1GAASRC
SCHEMBL6097030 0.79 MAP2K1 (0.52) KDM4EALDH1A1GAAARMCL1
SCHEMBL6213700 0.77 MCL1 (0.48) KDM4EMEN1ALDH1A1GAASRC
SCHEMBL6097703 0.76 AR (0.58) AR
SCHEMBL5761672 0.74 MEN1 (0.47) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL5762510 0.74 NAMPT (0.44) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL1771156 0.74 KDM4E (0.77) KDM4EMEN1ALDH1A1GAASRC
SCHEMBL5758484 0.73 MCL1 (0.44) KDM4EMEN1ALDH1A1GAASRC
SCHEMBL5760140 0.73 MCL1 (0.47) KDM4EMEN1ALDH1A1GAASRC
SCHEMBL5758920 0.72 KMT2A (0.40) KDM4EMEN1ALDH1A1GAAHPGD

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 2 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 disclosed
US-20050107427-A1 Benzyl urea and thiourea derivatives DU DANIEL Y (US) 2005-05-19 US 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 1959/4885MEN1 4659/4885ALDH1A1 1968/4885

“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.