SCHEMBL3785928

SCHEMBL3785928

Cc1cc(CN)cc(-c2cccc(CN)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
NOS3 P29474 1/20 0.47
TAAR1 Q96RJ0 4/20 0.46
PNMT P11086 1/20 0.44
ENPP2 Q13822 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
KARS1 Q15046 1/20 0.43
CFD P00746 2/20 0.42
CDK8 P49336 1/20 0.42
PLG P00747 3/20 0.41
PLAU P00749 3/20 0.41
PLAT P00750 2/20 0.41
HTR7 P34969 1/20 0.41
NMT1 P30419 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
SCHEMBL27817084 0.94 NOS1 (0.48) NOS1NOS2NOS3TAAR1PNMT
SCHEMBL18885685 0.90 PLG (0.43) NOS1NOS2NOS3TAAR1PNMT
SCHEMBL3780943 0.88 TAAR1 (0.53) NOS1NOS2NOS3TAAR1PNMT
SCHEMBL3792838 0.86 TAAR1 (0.54) TAAR1LOXL2HTR7
SCHEMBL3786351 0.84 HRH3 (0.58) NOS1NOS2NOS3TAAR1LOXL2
SCHEMBL3791745 0.83 LOXL2 (0.60) NOS1NOS2NOS3TAAR1PNMT
SCHEMBL3727224 0.82 TAAR1 (0.54) NOS1NOS2NOS3TAAR1PNMT
SCHEMBL18882742 0.82 MAOB (0.46) NOS1NOS2NOS3TAAR1PLG
SCHEMBL27651141 0.79 NOS1 (0.46) NOS1NOS2NOS3TAAR1PNMT
SCHEMBL15125637 0.79 TAAR1 (0.63) NOS1TAAR1KARS1HTR7

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 NOS1 3102/4885NOS2 2063/4885NOS3 1935/4885

“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.