SCHEMBL3788481

SCHEMBL3788481

Cc1ccc(CN)c(-c2cccc(CN)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
KARS1 Q15046 1/20 0.42
TAAR1 Q96RJ0 2/20 0.41
NOS1 P29475 4/20 0.40
NOS2 P35228 4/20 0.40
NOS3 P29474 2/20 0.40
DPP4 P27487 1/20 0.39
PNMT P11086 1/20 0.39
ENPP2 Q13822 1/20 0.39
MAP2K4 P45985 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
PLAU P00749 2/20 0.37
PLG P00747 1/20 0.37
PLAT P00750 1/20 0.37
CSNK2A1 P68400 2/20 0.37
IDO1 P14902 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
NFKB1 P19838 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3784856 0.87 HTR7 (0.44) HTR7KARS1TAAR1NOS1NOS2
SCHEMBL3791657 0.84 AKT2 (0.49) TAAR1DPP4MAP2K4PLGCSNK2A1
SCHEMBL3781923 0.82 DPP4 (0.59) HTR7DPP4CSNK2A1ALDH1A1SMN1; SMN2
SCHEMBL15832033 0.82 TAAR1 (0.49) TAAR1DPP4ALDH1A1NFKB1SMN1; SMN2
SCHEMBL8279406 0.82 TAAR1 (0.49) TAAR1DPP4PNMTALDH1A1
SCHEMBL3781449 0.79 DPP4 (0.64) HTR7TAAR1NOS1NOS2NOS3
SCHEMBL3780943 0.78 TAAR1 (0.53) HTR7KARS1TAAR1NOS1NOS2
SCHEMBL3789280 0.78 HTR7 (0.49) HTR7TAAR1NOS1NOS2NOS3
SCHEMBL3727224 0.77 TAAR1 (0.54) KARS1TAAR1NOS1NOS2NOS3
SCHEMBL20530624 0.76 MAP2K4 (0.47) HTR7TAAR1DPP4MAP2K4

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 1295/4885KARS1 2158/4885TAAR1 1746/4885

“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.