SCHEMBL3786205

SCHEMBL3786205

Nc1cccc(-c2cccc(N)c2OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.54
MAOA P21397 4/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAP4K4 O95819 1/20 0.43
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGER1 P34995 5/20 0.42
PTGER4 P35408 5/20 0.41
PTGER3 P43115 5/20 0.41
PTGER2 P43116 4/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
KIT P10721 1/20 0.40
APP P05067 1/20 0.40
CFD P00746 1/20 0.39

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
SCHEMBL1643220 0.89 ALDH1A1 (0.48) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL3787636 0.85 MAOB (0.53) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL28948616 0.82 PTGER1 (0.49) MAOBCYP19A1CYP11B1CYP11B2PTGER1
SCHEMBL30008028 0.82 PTGER1 (0.65) PTGER1
SCHEMBL3789362 0.82 PTGER1 (0.59) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL3785631 0.81 L3MBTL1 (0.46) MAOBMAOAGAAMAPTRAB9A
SCHEMBL3784760 0.80 TP53 (0.50) MAOAMAP4K4MAPTSMN1; SMN2L3MBTL1
SCHEMBL3783759 0.79 MAOB (0.54) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL3786180 0.78 MAOB (0.65) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL3788471 0.78 MAOB (0.65) MAOBMAOAGAAMAPTRAB9A

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 MAOB 101/4885MAOA 348/4885CYP19A1 176/4885

“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.