SCHEMBL3786786

SCHEMBL3786786

Nc1ccccc1-c1cc(Oc2ccccc2)ccc1N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.52
MAOB P27338 3/20 0.52
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 2/20 0.48
MITF O75030 1/20 0.48
GFER P55789 1/20 0.48
NLRP1 Q9C000 1/20 0.48
NOD2 Q9HC29 1/20 0.48
NR4A1 P22736 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NLRP3 Q96P20 1/20 0.47
LTA4H P09960 3/20 0.46
TSHR P16473 1/20 0.46
GSTP1 P09211 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
SCHEMBL3781324 0.89 MAOA (0.52) MAOAMAOBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3790623 0.85 GSTP1 (0.53) MAOAMAOBALDH1A1SMN1; SMN2MEN1
SCHEMBL3786767 0.80 MAOA (0.62) MAOAMAOBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6069864 0.80 MAOB (0.67) MAOAMAOBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL398444 0.80 ALDH1A1 (0.64) MAOAMAOBALDH1A1L3MBTL1MEN1
SCHEMBL5014862 0.80 ALDH1A1 (0.52) MAOAMAOBALDH1A1SMN1; SMN2MEN1
SCHEMBL721616 0.79 NR4A1 (0.77) MAOAMAOBALDH1A1SMN1; SMN2MEN1
SCHEMBL29412671 0.79 NR4A1 (0.77) MAOAMAOBALDH1A1SMN1; SMN2MEN1
SCHEMBL2087211 0.79 ALDH1A1 (0.57) MAOAMAOBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL3783731 0.78 ALDH1A1 (0.52) MAOAALDH1A1L3MBTL1SMN1; SMN2MEN1

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 348/4885MAOB 101/4885ALDH1A1 4339/4885

“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.