SCHEMBL3787706

SCHEMBL3787706

Nc1ccccc1-c1ccc(F)cc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GPR3 P46089 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MAPK14 Q16539 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
HDAC1 Q13547 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
PDK2 Q15119 1/20 0.39
HSD11B1 P28845 1/20 0.39
IDO1 P14902 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
SCHEMBL29462674 0.88 ALDH1A1 (0.55) ALDH1A1L3MBTL1GPR3GAAHTT
SCHEMBL399629 0.87 ALDH1A1 (0.54) ALDH1A1L3MBTL1GPR3HSD17B10MAPK14
SCHEMBL3787023 0.86 ALDH1A1 (0.59) ALDH1A1L3MBTL1GPR3HSD17B10CYP1A2
SCHEMBL400394 0.83 ALDH1A1 (0.54) ALDH1A1L3MBTL1GPR3HSD17B10HDAC1
SCHEMBL3785218 0.80 ALDH1A1 (0.54) ALDH1A1GPR3HSD17B10GAAHTT
SCHEMBL2497898 0.79 ALDH1A1 (0.43) ALDH1A1L3MBTL1GPR3MAPK14GAA
SCHEMBL30927149 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1GAAHTTHDAC1
SCHEMBL169281 0.77 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10GAACYP3A4
SCHEMBL31607672 0.77 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10GAACYP3A4
SCHEMBL2497040 0.77 HSD11B1 (0.43) ALDH1A1HSD11B1TAAR1KDM4E

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 4339/4885L3MBTL1 3838/4885GPR3 1937/4885

“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.