SCHEMBL3786391

SCHEMBL3786391

Nc1cccc(-c2ccc(N)c(OCc3ccccc3)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
MAOA P21397 3/20 0.50
CYP19A1 P11511 2/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALOX5AP P20292 2/20 0.44
MAP4K4 O95819 2/20 0.44
GAA P10253 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3786779 0.91 MAPT (0.53) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL3790968 0.88 MAOB (0.55) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL3788705 0.88 MAPT (0.54) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL7489944 0.85 DHFR (0.49) MAOBMAPTL3MBTL1MAPK1KDM4E
SCHEMBL8298067 0.84 MAOB (0.56) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL3319165 0.82 MAOB (0.49) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL3791194 0.81 MAOB (0.68) MAOBMAOAMAPTL3MBTL1GAA
SCHEMBL3792778 0.81 MAOB (0.54) MAOBMAOACYP19A1CYP11B1CYP11B2
SCHEMBL14259206 0.80 CYP11B1 (0.63) CYP19A1CYP11B1CYP11B2MAPK1MEN1
SCHEMBL3781528 0.80 APP (0.47) MAOBCYP19A1CYP11B1CYP11B2MAPT

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.