SCHEMBL3782083

SCHEMBL3782083

CCOC1(N)CC=CC=C1c1cccc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
MAOA P21397 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL3784580 0.85 MAOA (0.36) TP53CYP3A4MAOATSHRKDM4E
SCHEMBL3790574 0.79 MAOA (0.40) CYP3A4MAOAKDM4EALDH1A1MAPT
SCHEMBL3788292 0.78 MAOA (0.37) CYP3A4MAOATSHRKDM4E
SCHEMBL3790447 0.77 MAOA (0.39) CYP3A4MAOATSHRKDM4EALDH1A1
SCHEMBL3781938 0.75 MAOA (0.37) CYP3A4MAOATSHRKDM4EMAPT
SCHEMBL3808739 0.75 MAOA (0.37) CYP3A4MAOAKDM4EALDH1A1MAPT
SCHEMBL3787417 0.75 MAOA (0.39) CYP3A4MAOAKDM4EALDH1A1MAPT
SCHEMBL3789287 0.75 MAOA (0.39) CYP3A4MAOAKDM4EALDH1A1MAPT
SCHEMBL3781524 0.74 MAP4K4 (0.37) CYP3A4MAOATSHRKDM4E
SCHEMBL3786705 0.74 ALDH1A1 (0.37) CYP3A4MAOAKDM4EALDH1A1MAPT

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 TP53 2819/4885CYP3A4 177/4885SMN1; SMN2 4524/4885

“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.