SCHEMBL3785200

SCHEMBL3785200

CCSc1ccc(N)c(-c2cccc(N)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MAP4K4 O95819 2/20 0.38
EPHX2 P34913 1/20 0.38
BRD4 O60885 1/20 0.36
PTGS2 P35354 1/20 0.36
USP7 Q93009 1/20 0.36
GCK P35557 1/20 0.36
SLC6A4 P31645 1/20 0.36
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TYMS P04818 1/20 0.34
BACE1 P56817 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3785569 0.88 MAOA (0.39) MAOACNR1CNR2MAP4K4EPHX2
SCHEMBL3791305 0.85 ALDH1A1 (0.44) MAOAEPHX2PTGS2GCKSLC6A4
SCHEMBL3787056 0.82 MAOA (0.42) MAOACNR1CNR2MAP4K4BRD4
SCHEMBL3785538 0.82 GCK (0.38) MAOACNR1CNR2EPHX2PTGS2
SCHEMBL3789234 0.82 PTGS2 (0.50) MAOAMAP4K4EPHX2PTGS2TP53
SCHEMBL3789813 0.80 MAOA (0.53) MAOAMAP4K4PTGS2SLC6A4CYP3A4
SCHEMBL3790151 0.78 ALDH1A1 (0.47) MAOAEPHX2PTGS2SLC6A4BACE1
SCHEMBL30426786 0.77 CYP3A4 (0.46) MAOAEPHX2PTGS2SLC6A4TP53
SCHEMBL926391 0.77 CYP3A4 (0.46) MAOAEPHX2PTGS2SLC6A4TP53
SCHEMBL3781383 0.77 MAOA (0.48) MAOAMAP4K4EPHX2PTGS2SLC6A4

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 348/4885CNR1 2511/4885CNR2 1524/4885

“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.