SCHEMBL3790457

SCHEMBL3790457

Nc1ccccc1-c1cccc(Oc2ccccc2)c1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ NCOA1 Q15788 1/20 0.47
▸ NCOA3 Q9Y6Q9 1/20 0.47
▸ GAA P10253 3/20 0.46
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ DPP4 P27487 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ BCAT2 O15382 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ RCE1 Q9Y256 1/20 0.41
▸ CTNNB1 P35222 1/20 0.41
▸ LTA4H P09960 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
SCHEMBL6681917 0.90 ADORA2A (0.53) ADORA2AALDH1A1NCOA1NCOA3GAA
SCHEMBL395091 0.86 NCOA1 (0.56) ADORA2AALDH1A1L3MBTL1NCOA1NCOA3
SCHEMBL113777 0.84 GAA (0.52) ADORA2AALDH1A1NCOA1NCOA3GAA
SCHEMBL31305020 0.84 GAA (0.52) ADORA2AALDH1A1NCOA1NCOA3GAA
SCHEMBL3792074 0.83 NCOA1 (0.62) ADORA2AALDH1A1NCOA1NCOA3GAA
Water SCHEMBL5145621 0.82 GAA (0.50) ADORA2AALDH1A1NCOA1NCOA3GAA
SCHEMBL3790679 0.81 NCOA1 (0.47) ADORA2AALDH1A1L3MBTL1NCOA1NCOA3
SCHEMBL6745256 0.80 LTA4H (0.50) ADORA2AALDH1A1L3MBTL1NCOA1NCOA3
SCHEMBL3783536 0.79 NCOA1 (0.67) ADORA2AALDH1A1NCOA1NCOA3GAA
SCHEMBL5723 0.78 GAA (0.62) ALDH1A1NCOA1NCOA3GAACYP1A2

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 ADORA2A 2101/4885ALDH1A1 4339/4885L3MBTL1 3838/4885

“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.

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