SCHEMBL3789916

SCHEMBL3789916

COc1ccc(OC(=O)Nc2ccc(-c3cccc(N)c3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 1/20 0.59
HTT P42858 1/20 0.59
PORCN Q9H237 2/20 0.55
PLAU P00749 6/20 0.52
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
BLM P54132 1/20 0.51
CASP6 P55212 1/20 0.51
GFER P55789 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PLG P00747 3/20 0.50
PLAT P00750 3/20 0.50
POLB P06746 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADORA3 P0DMS8 1/20 0.48

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 0.91 ALDH1A1 (0.61) GAASMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL3780753 0.89 ALDH1A1 (0.55) GAASMN1; SMN2ALDH1A1HTTPORCN
SCHEMBL3791293 0.87 SMN1; SMN2 (0.59) GAASMN1; SMN2ALDH1A1HTTPORCN
SCHEMBL3785057 0.86 GAA (0.68) GAASMN1; SMN2ALDH1A1HTTPORCN
SCHEMBL3786296 0.85 ALDH1A1 (0.51) GAASMN1; SMN2ALDH1A1HTTPORCN
SCHEMBL3781736 0.85 GAA (0.51) GAASMN1; SMN2ALDH1A1HTTPORCN
SCHEMBL14467689 0.85 ALDH1A1 (0.68) GAASMN1; SMN2ALDH1A1HTTKDM4E
SCHEMBL3785129 0.85 ALDH1A1 (0.47) GAASMN1; SMN2ALDH1A1HTTPLAU
SCHEMBL3791875 0.85 HDAC2 (0.58) GAASMN1; SMN2ALDH1A1HTTPLAU
SCHEMBL3782165 0.82 ALDH1A1 (0.63) GAASMN1; SMN2ALDH1A1HTTPORCN

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

“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.