SCHEMBL3780753

SCHEMBL3780753

COc1ccc(OC(=O)Nc2cc(N)cc(-c3cccc(N)c3)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
GAA P10253 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HTT P42858 1/20 0.55
ADORA3 P0DMS8 1/20 0.47
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
BLM P54132 1/20 0.44
CASP6 P55212 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGAV P06756 1/20 0.43
PLAU P00749 1/20 0.43
PORCN Q9H237 1/20 0.43
MEN1 O00255 3/20 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
SCHEMBL3794426 0.92 ALDH1A1 (0.61) ALDH1A1GAASMN1; SMN2HTTADORA3
SCHEMBL3782165 0.91 ALDH1A1 (0.63) ALDH1A1GAASMN1; SMN2HTTADORA3
SCHEMBL3789916 0.89 GAA (0.59) ALDH1A1GAASMN1; SMN2HTTADORA3
SCHEMBL3784756 0.87 GAA (0.54) ALDH1A1GAASMN1; SMN2HTTADORA3
SCHEMBL14467689 0.87 ALDH1A1 (0.68) ALDH1A1GAASMN1; SMN2HTTADORA3
SCHEMBL3791293 0.84 SMN1; SMN2 (0.59) ALDH1A1GAASMN1; SMN2HTTADORA3
SCHEMBL3790992 0.83 GAA (0.56) ALDH1A1GAASMN1; SMN2HTTADORA3
SCHEMBL3781736 0.82 GAA (0.51) ALDH1A1GAASMN1; SMN2HTTADORA3
SCHEMBL3786296 0.82 ALDH1A1 (0.51) ALDH1A1GAASMN1; SMN2HTTADORA3
SCHEMBL3785129 0.81 ALDH1A1 (0.47) ALDH1A1GAASMN1; SMN2HTTMTNR1A

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 4339/4885GAA 1755/4885SMN1; 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.