SCHEMBL3784881

SCHEMBL3784881

Cc1ccc(-c2cccc(CN)c2)cc1CN

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.51
NOS1 P29475 1/20 0.51
NOS2 P35228 1/20 0.51
TAAR1 Q96RJ0 3/20 0.44
HTR7 P34969 2/20 0.42
PNMT P11086 1/20 0.41
ENPP2 Q13822 1/20 0.41
NMT1 P30419 1/20 0.41
CFD P00746 4/20 0.40
CDK8 P49336 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 1/20 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

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
SCHEMBL3790594 0.87 HRH3 (0.56) NOS3NOS1NOS2TAAR1LOXL2
SCHEMBL3789625 0.86 NOS3 (0.51) NOS3NOS1NOS2TAAR1HTR7
SCHEMBL3784027 0.83 TAAR1 (0.48) TAAR1
SCHEMBL3791745 0.80 LOXL2 (0.60) NOS3NOS1NOS2TAAR1PNMT
SCHEMBL3727224 0.79 TAAR1 (0.54) NOS3NOS1NOS2TAAR1PNMT
SCHEMBL3786468 0.79 HTR7 (0.50) NOS3NOS1NOS2TAAR1HTR7
SCHEMBL3794460 0.78 TAAR1 (0.70) NOS3NOS1NOS2TAAR1PNMT
SCHEMBL2221947 0.78 TAAR1 (0.43) TAAR1PNMTENPP2LOXL2HRH3
SCHEMBL3780943 0.77 TAAR1 (0.53) NOS3NOS1NOS2TAAR1HTR7
SCHEMBL28247640 0.77 TAAR1 (0.74) TAAR1PNMTENPP2CFDLOXL2

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 NOS3 1935/4885NOS1 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.