SCHEMBL20021943

SCHEMBL20021943

Cc1ccc(N)cc1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
ABL1 P00519 2/20 0.46
PLA2G7 Q13093 1/20 0.46
CASP1 P29466 3/20 0.45
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
PDE10A Q9Y233 1/20 0.42
APP P05067 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
DHFR P00374 1/20 0.39
TDO2 P48775 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL3783964 0.87 ALDH1A1 (0.54) ALDH1A1PLA2G7CASP1CYP3A4TSHR
SCHEMBL12345174 0.83 ALDH1A1 (0.50) ALDH1A1PLA2G7CASP1CYP3A4TSHR
SCHEMBL3750244 0.83 ABL1 (0.51) ABL1GCGRMAPK14PTGS2
SCHEMBL27962615 0.80 CASP1 (0.52) ALDH1A1ABL1PLA2G7CASP1CYP3A4
SCHEMBL15292824 0.80 PLA2G7 (0.55) ALDH1A1PLA2G7CASP1CYP3A4TSHR
SCHEMBL21020925 0.79 KIF11 (0.57) ALDH1A1PLA2G7CASP1CYP3A4TSHR
SCHEMBL3791175 0.79 PLA2G7 (0.58) ALDH1A1PLA2G7CASP1CYP3A4TSHR
SCHEMBL1578302 0.79 ALDH1A1 (0.43) ALDH1A1CYP3A4APPMAPTGCGR
SCHEMBL957251 0.79 MAP4K4 (0.50) ALDH1A1CYP3A4APPMAPTGCGR
SCHEMBL28473394 0.79 TAAR1 (0.45) ALDH1A1CYP3A4TSHRAPPMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed
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
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 ALDH1A1 3208/4885ABL1 1952/4885PLA2G7 4056/4885

“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.