SCHEMBL3786468

SCHEMBL3786468

Cc1cccc(CN)c1-c1cccc(CN)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.50
NOS1 P29475 3/20 0.44
NOS2 P35228 3/20 0.44
NOS3 P29474 2/20 0.44
FFAR1 O14842 5/20 0.44
PNMT P11086 1/20 0.41
ENPP2 Q13822 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
CFD P00746 4/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
F11 P03951 1/20 0.40
KLKB1 P03952 1/20 0.40
F7 P08709 1/20 0.40
TPSB2 P20231 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
KARS1 Q15046 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL20530676 0.88 HTR7 (0.46) HTR7FFAR1
SCHEMBL30466811 0.88 HTR7 (0.46) HTR7FFAR1
SCHEMBL3785411 0.83 HRH3 (0.50) NOS1NOS2NOS3PNMTLOXL2
SCHEMBL3790918 0.81 DPP4 (0.52) HTR7PNMTLOXL2TAAR1CYP3A4
SCHEMBL3789625 0.79 NOS3 (0.51) HTR7NOS1NOS2NOS3PNMT
SCHEMBL3784881 0.79 NOS3 (0.51) HTR7NOS1NOS2NOS3PNMT
SCHEMBL3789280 0.77 HTR7 (0.49) HTR7NOS1NOS2NOS3PNMT
SCHEMBL3788421 0.76 HTR7 (0.75) HTR7NOS1NOS2NOS3FFAR1
SCHEMBL3791745 0.76 LOXL2 (0.60) NOS1NOS2NOS3PNMTENPP2
SCHEMBL28808755 0.75 PNMT (0.48) HTR7NOS1NOS2NOS3PNMT

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 HTR7 1295/4885NOS1 3102/4885NOS2 2063/4885

“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.