SCHEMBL3789255

SCHEMBL3789255

NCc1cc(N)cc(-c2ccccc2N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
CSNK2A1 P68400 3/20 0.37
CSNK2B P67870 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.37
TAAR1 Q96RJ0 1/20 0.36
DHFR P00374 1/20 0.35
DPP4 P27487 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 2/20 0.33
ADORA3 P0DMS8 1/20 0.33
HTR7 P34969 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
HRH3 Q9Y5N1 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL3786505 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1DHFRMAOA
SCHEMBL3790240 0.79 ALDH1A1 (0.54) ALDH1A1HSD17B10L3MBTL1CSNK2A1LOXL2
SCHEMBL3790239 0.79 TAAR1 (0.56) ALDH1A1HSD17B10CSNK2A1LOXL2TAAR1
SCHEMBL3794918 0.76 ALDH1A1 (0.60) ALDH1A1HSD17B10L3MBTL1CSNK2A1LOXL2
SCHEMBL5671941 0.75 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1DHFRMAOA
SCHEMBL29520503 0.75 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1DHFRMAOA
SCHEMBL25012067 0.75 ALDH1A1 (0.64) ALDH1A1HSD17B10L3MBTL1TAAR1DHFR
SCHEMBL3794625 0.73 MAOA (0.54) ALDH1A1LOXL2TAAR1MAOAMAOB
SCHEMBL3787036 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TAAR1DHFR
SCHEMBL3786685 0.73 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1DHFRMAOA

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 ALDH1A1 4339/4885HSD17B10 1100/4885L3MBTL1 3838/4885

“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.