SCHEMBL3787209

SCHEMBL3787209

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
MAP4K4 O95819 5/20 0.44
CYP3A4 P08684 4/20 0.44
CYP17A1 P05093 2/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
MCL1 Q07820 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
MEN1 O00255 2/20 0.42
PSIP1 O75475 1/20 0.42
AXL P30530 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
SCHEMBL3789745 0.85 MAOA (0.50) MAOAALDH1A1KDM4EMAPTMAP4K4
SCHEMBL3793580 0.85 HSD17B10 (0.57) MAOAALDH1A1KDM4EMAPTCYP3A4
SCHEMBL3787222 0.83 MAOA (0.52) MAOAALDH1A1KDM4EMAPTMAP4K4
SCHEMBL3804820 0.82 CYP3A4 (0.46) ALDH1A1KDM4EMAPTCYP3A4CYP17A1
SCHEMBL3790495 0.78 ALDH1A1 (0.49) MAOAALDH1A1KDM4EMAPTMAP4K4
SCHEMBL692702 0.78 CASP1 (0.42) ALDH1A1KDM4EMAPTCYP3A4MCL1
SCHEMBL3786978 0.77 MAOA (0.59) MAOAALDH1A1KDM4EMAPTMAP4K4
SCHEMBL3786378 0.76 ALDH1A1 (0.47) MAOAALDH1A1KDM4EMAPTMAP4K4
SCHEMBL30026994 0.76 MEN1 (0.67) MAOAALDH1A1KDM4EMAPTMAP4K4
SCHEMBL1603007 0.76 MEN1 (0.67) MAOAALDH1A1KDM4EMAPTMAP4K4

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 348/4885ALDH1A1 4339/4885KDM4E 2606/4885

“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.