SCHEMBL3786705

SCHEMBL3786705

Nc1cccc(C2=CC=CCC2(N)CO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
MAOA P21397 1/20 0.36
MAP4K4 O95819 2/20 0.35
MCL1 Q07820 1/20 0.33
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
CYP3A4 P08684 2/20 0.31
CYP17A1 P05093 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
TDP2 O95551 1/20 0.30
CA12 O43570 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
SCHEMBL3808739 0.87 MAOA (0.37) ALDH1A1KDM4EMAPTMAOAMAP4K4
SCHEMBL3787417 0.81 MAOA (0.39) ALDH1A1KDM4EMAPTMAOAMAP4K4
SCHEMBL3790447 0.78 MAOA (0.39) ALDH1A1KDM4EMAPTMAOAMAP4K4
SCHEMBL3789287 0.78 MAOA (0.39) ALDH1A1KDM4EMAPTMAOAMAP4K4
SCHEMBL3781938 0.75 MAOA (0.37) KDM4EMAPTMAOAMAP4K4MCL1
SCHEMBL3788292 0.75 MAOA (0.37) KDM4EMAOAMAP4K4MCL1MEN1
SCHEMBL3781524 0.74 MAP4K4 (0.37) KDM4EMAOAMAP4K4MCL1MEN1
SCHEMBL3787247 0.74 MAOA (0.36) KDM4EMAOAMAP4K4MCL1MEN1
SCHEMBL3784580 0.74 MAOA (0.36) ALDH1A1KDM4EMAOAMAP4K4MCL1
SCHEMBL3782083 0.74 TP53 (0.36) ALDH1A1KDM4EMAPTMAOACYP3A4

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 ALDH1A1 4339/4885KDM4E 2606/4885MAPT 3312/4885

“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.