SCHEMBL3789400

SCHEMBL3789400

COc1ccc(OC(=O)Nc2ccc(N)c(-c3ccccc3)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.62
ALDH1A1 P00352 4/20 0.62
HTT P42858 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
POLB P06746 2/20 0.52
PORCN Q9H237 1/20 0.48
MAPT P10636 2/20 0.48
HDAC2 Q92769 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 2/20 0.46
FAAH O00519 4/20 0.45

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
SCHEMBL3789275 0.90 GAA (0.53) GAAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL3788115 0.90 ALDH1A1 (0.62) GAAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL3781736 0.89 GAA (0.51) GAAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL3784624 0.89 ALDH1A1 (0.59) GAAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL3786746 0.85 GAA (0.65) GAAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL3790147 0.84 GAA (0.60) GAAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL3786389 0.84 ALDH1A1 (0.59) GAAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL27825330 0.81 POLB (0.70) GAAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL3786248 0.80 GAA (0.53) GAAALDH1A1HTTSMN1; SMN2POLB
SCHEMBL3786296 0.80 ALDH1A1 (0.51) GAAALDH1A1HTTSMN1; SMN2POLB

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 4339/4885HTT 3090/4885

“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.