SCHEMBL3789540

SCHEMBL3789540

Cc1cc(CN)ccc1-c1ccc(CN)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.52
AKT2 P31751 1/20 0.49
CSNK2A1 P68400 2/20 0.47
TAAR1 Q96RJ0 3/20 0.45
NSD2 O96028 1/20 0.45
CD274 Q9NZQ7 1/20 0.44
NOS3 P29474 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
DGAT1 O75907 1/20 0.40
SOAT1 P35610 1/20 0.40
HTR7 P34969 1/20 0.40
ADRB2 P07550 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
RARB P10826 1/20 0.39
BACE1 P56817 1/20 0.39

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
SCHEMBL12496670 0.89 LOXL2 (0.52) HRH3AKT2CSNK2A1TAAR1NSD2
SCHEMBL2572842 0.88 CSNK2A1 (0.62) CSNK2A1TAAR1NSD2HTR7LOXL2
SCHEMBL3790212 0.86 HTR7 (0.56) HRH3CSNK2A1TAAR1NSD2CD274
SCHEMBL3780634 0.83 HRH3 (0.52) HRH3AKT2CSNK2A1TAAR1CD274
SCHEMBL20938020 0.81 NSD2 (0.44) HRH3AKT2NSD2DGAT1SOAT1
SCHEMBL3793564 0.79 HTR7 (0.56) HRH3AKT2CSNK2A1TAAR1CD274
SCHEMBL15353584 0.77 WNT3A (0.46) NSD2LOXL2
SCHEMBL22400156 0.76 HRH3 (0.48) HRH3AKT2TAAR1CD274NOS3
SCHEMBL26032092 0.75 RARB (0.39) DGAT1SOAT1RARB
SCHEMBL11480904 0.75 RARB (0.39) HRH3DGAT1SOAT1RARB

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 HRH3 169/4885AKT2 3144/4885CSNK2A1 4767/4885

“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.