SCHEMBL3787247

SCHEMBL3787247

Nc1cccc(C2=CC=CCC2(N)C(F)(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
MAP4K4 O95819 2/20 0.32
MEN1 O00255 1/20 0.31
PSIP1 O75475 1/20 0.31
AXL P30530 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
NPY5R Q15761 1/20 0.31
MCL1 Q07820 1/20 0.31
BRD4 O60885 1/20 0.31
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
TDP2 O95551 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL28183460 0.83 MAOA (0.30) MAOA
SCHEMBL3789287 0.81 MAOA (0.39) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL3790447 0.78 MAOA (0.39) MAOATSHRMAP4K4MEN1PSIP1
SCHEMBL3787417 0.78 MAOA (0.39) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL3781938 0.75 MAOA (0.37) MAOATSHRMAP4K4MEN1PSIP1
SCHEMBL3788292 0.75 MAOA (0.37) MAOATSHRMAP4K4MEN1PSIP1
SCHEMBL3808739 0.75 MAOA (0.37) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL3786705 0.74 ALDH1A1 (0.37) MAOAMAP4K4MEN1PSIP1AXL
SCHEMBL3784580 0.74 MAOA (0.36) MAOATSHRMAP4K4MEN1PSIP1
SCHEMBL3781524 0.74 MAP4K4 (0.37) MAOATSHRMAP4K4MEN1PSIP1

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 348/4885TSHR 1688/4885MAPK1 4726/4885

“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.