SCHEMBL3785972

SCHEMBL3785972

Nc1cccc(-c2ccc(F)c(N)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAP4K4 O95819 6/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
MEN1 O00255 2/20 0.46
PSIP1 O75475 1/20 0.46
AXL P30530 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
CYP3A4 P08684 2/20 0.44
CASP1 P29466 1/20 0.44
RECQL P46063 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MCL1 Q07820 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL14320619 0.85 MAOA (0.58) MAOAMAP4K4TAAR1CA12CA1
SCHEMBL8181149 0.84 TDP1 (0.55) MAP4K4TAAR1MEN1CYP3A4TDP1
SCHEMBL3787627 0.83 MAOA (0.56) MAOAMAP4K4TAAR1CA12CA1
SCHEMBL15234504 0.83 TAAR1 (0.64) MAP4K4TAAR1MEN1CYP3A4TDP1
SCHEMBL3790222 0.83 HSD17B10 (0.57) MAOAMAP4K4TAAR1MEN1CYP3A4
SCHEMBL22035759 0.83 HSD17B10 (0.57) MAOAMAP4K4TAAR1MEN1CYP3A4
SCHEMBL3789413 0.80 TAAR1 (0.54) MAP4K4TAAR1CA12CA1CA2
SCHEMBL1603007 0.80 MEN1 (0.67) MAOAMAP4K4TAAR1CA12CA1
SCHEMBL30026994 0.80 MEN1 (0.67) MAOAMAP4K4TAAR1CA12CA1
SCHEMBL16545009 0.80 MAOA (0.52) MAOAMAP4K4TAAR1CA12CA1

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 MAOA 348/4885MAP4K4 3704/4885TAAR1 1746/4885

“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.