SCHEMBL3784756

SCHEMBL3784756

COc1ccc(OC(=O)Nc2cc(N)cc(-c3ccc(N)cc3)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 3/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
GLA P06280 1/20 0.52
THRB P10828 1/20 0.52
BLM P54132 1/20 0.52
CASP6 P55212 1/20 0.52
GFER P55789 1/20 0.52
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
NR4A1 P22736 1/20 0.43
MAPK1 P28482 1/20 0.42
HTR6 P50406 1/20 0.42
PORCN Q9H237 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL3782165 0.91 ALDH1A1 (0.63) GAAALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL3785057 0.88 GAA (0.68) GAAALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL3780753 0.87 ALDH1A1 (0.55) GAAALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL3791293 0.86 SMN1; SMN2 (0.59) GAAALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL14861253 0.83 ADORA3 (0.53) GAAALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL3790992 0.83 GAA (0.56) GAAALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL3789916 0.81 GAA (0.59) GAAALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL3786248 0.80 GAA (0.53) GAAALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL3789275 0.80 GAA (0.53) GAAALDH1A1SMN1; SMN2HTTTDP1
SCHEMBL3786175 0.79 HDAC2 (0.62) GAAALDH1A1SMN1; SMN2HTTTDP1

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 GAA 1755/4885ALDH1A1 4339/4885SMN1; SMN2 4524/4885

“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.