SCHEMBL3785536

SCHEMBL3785536

CCSc1ccc(N)cc1-c1cccc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAP4K4 O95819 4/20 0.40
BRD4 O60885 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
USP7 Q93009 1/20 0.37
CYP3A4 P08684 2/20 0.36
TP53 P04637 1/20 0.36
CASP1 P29466 1/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.35
PSIP1 O75475 1/20 0.35
AXL P30530 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAOB P27338 1/20 0.35
ALK Q9UM73 1/20 0.34

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
SCHEMBL3787086 0.88 PTGDR2 (0.42) MAOACYP3A4TP53CASP1RECQL
SCHEMBL3795022 0.87 MAOA (0.41) MAOAMAP4K4BRD4CNR1CNR2
SCHEMBL3808526 0.87 MAOA (0.46) MAOAMAP4K4BRD4CNR1CNR2
SCHEMBL3787049 0.84 TDP1 (0.36) CNR1CNR2CYP3A4TP53RECQL
SCHEMBL3788519 0.82 MAP4K4 (0.42) MAOAMAP4K4BRD4CNR1CNR2
SCHEMBL3789663 0.81 MAOA (0.45) MAOAMAP4K4BRD4CYP3A4CASP1
SCHEMBL894876 0.80 MAOA (0.48) MAOAMAP4K4BRD4CYP3A4TP53
SCHEMBL3781489 0.80 MAOA (0.46) MAOAMAP4K4CYP3A4TP53CASP1
SCHEMBL3788821 0.77 RECQL (0.43) CNR1CNR2CYP3A4TP53RECQL
SCHEMBL3789865 0.77 MAOA (0.46) MAOAMAP4K4USP7CYP3A4TP53

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 348/4885MAP4K4 3704/4885BRD4 96/4885

“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.