SCHEMBL3787382

SCHEMBL3787382

Nc1ccc(-c2cccc(F)c2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.45
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
KDR P35968 3/20 0.41
KIT P10721 2/20 0.41
FLT3 P36888 2/20 0.41
APP P05067 1/20 0.38
KIF11 P52732 2/20 0.37
MAPT P10636 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
PRKCZ Q05513 1/20 0.35
BACE1 P56817 1/20 0.35
DAPK3 O43293 1/20 0.35
PRKD3 O94806 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL29634223 0.84 ALDH1A1 (0.50) CYP3A4ALDH1A1HSD17B10KDRMAPT
SCHEMBL3785446 0.84 ALDH1A1 (0.50) CYP3A4ALDH1A1HSD17B10KDRMAPT
SCHEMBL30037345 0.83 GRIA4 (0.39) KIF11MAPTNPC1RAB9AMEN1
SCHEMBL27195803 0.83 GRIA4 (0.39) KIF11MAPTNPC1RAB9AMEN1
SCHEMBL20486024 0.83 TAAR1 (0.45) TAAR1CYP3A4TDP1ALDH1A1TP53
Hydrochloric Acid SCHEMBL9536077 0.83 ALDH1A1 (0.48) CYP3A4ALDH1A1TP53HSD17B10KDR
SCHEMBL3165600 0.82 ALDH1A1 (0.52) TAAR1CYP3A4TDP1ALDH1A1TP53
SCHEMBL2520159 0.79 TAAR1 (0.42) TAAR1CYP3A4TDP1ALDH1A1TP53
SCHEMBL3780887 0.79 MAP4K4 (0.50) TAAR1CYP3A4ALDH1A1KITMAPT
SCHEMBL2493372 0.79 FEN1 (0.42) BACE1MAP4K4

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 TAAR1 1746/4885CYP3A4 177/4885TDP1 4196/4885

“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.