SCHEMBL3790239

SCHEMBL3790239

NCc1cc(N)cc(-c2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.56
MAOA P21397 3/20 0.50
LOXL2 Q9Y4K0 2/20 0.46
CYP3A4 P08684 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CSNK2A1 P68400 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
AGXT P21549 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
MAOB P27338 2/20 0.41
AOC3 Q16853 2/20 0.38
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL30972501 0.87 TAAR1 (0.65) TAAR1MAOALOXL2CSNK2A1GRIN2D
SCHEMBL3794625 0.86 MAOA (0.54) TAAR1MAOALOXL2CYP3A4MAOB
SCHEMBL3789200 0.85 LOXL2 (0.52) TAAR1LOXL2CYP3A4HSD17B10TDP1
SCHEMBL28215091 0.82 MAOA (0.48) TAAR1MAOACYP3A4HSD17B10TDP1
SCHEMBL22212987 0.82 MAOA (0.48) TAAR1MAOACYP3A4HSD17B10TDP1
SCHEMBL3786783 0.82 MAOA (0.48) TAAR1MAOACYP3A4HSD17B10TDP1
SCHEMBL3995431 0.79 MAOA (0.67) TAAR1MAOACYP3A4HSD17B10TDP1
SCHEMBL4267156 0.79 MAOA (0.67) TAAR1MAOACYP3A4HSD17B10TDP1
SCHEMBL15837471 0.79 MAOA (0.67) TAAR1MAOACYP3A4HSD17B10TDP1
SCHEMBL3789255 0.79 ALDH1A1 (0.47) TAAR1MAOALOXL2CYP3A4HSD17B10

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 TAAR1 1746/4885MAOA 348/4885LOXL2 1544/4885

“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.