SCHEMBL20021934

SCHEMBL20021934

CCCOc1ccc(NC(=O)C(F)(F)F)cc1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 7/20 0.55
CTNNB1 P35222 7/20 0.55
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PDE5A O76074 2/20 0.44
HTR2A P28223 2/20 0.43
HTR2C P28335 1/20 0.43
S1PR1 P21453 1/20 0.41
C5AR1 P21730 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
SYK P43405 1/20 0.40
NPY5R Q15761 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
SCHEMBL18165183 0.89 BCL9 (0.51) BCL9CTNNB1CYP1A2CYP2C9CYP2C19
SCHEMBL20021936 0.84 BCL9 (0.53) BCL9CTNNB1MAPTHSD17B10PDE5A
SCHEMBL20021931 0.78 MGLL (0.60) BCL9CTNNB1MAPTC5AR1
SCHEMBL20021941 0.78 CTNNB1 (0.86) BCL9CTNNB1
SCHEMBL12907984 0.78 ABL1 (0.45) BCL9CTNNB1MAPTHSD17B10
SCHEMBL1136127 0.78 MRGPRX1 (0.48) CYP1A2CYP2C9CYP2C19MAPTHSD17B10
SCHEMBL18165105 0.77 ABL1 (0.54) CYP1A2CYP2C9CYP2C19NPY5R
SCHEMBL1239679 0.77 ABL1 (0.46) BCL9CTNNB1MAPTHSD17B10PDE5A
SCHEMBL20021940 0.77 CTNNB1 (0.90) BCL9CTNNB1
SCHEMBL20021919 0.76 BCL9 (0.54) BCL9CTNNB1MAPTSYK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2018-04-05 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-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS BCL9, BCL9L, BCL3 BCL9 1/4885CTNNB1 4/4885CYP1A2 3464/4885

“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.