SCHEMBL3786385

SCHEMBL3786385

COc1ccc(OC(=O)Nc2c(N)cccc2-c2ccc(N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 3/20 0.44
KDM4E B2RXH2 2/20 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
CYP3A4 P08684 1/20 0.42
KIT P10721 1/20 0.42
KDR P35968 1/20 0.42
APP P05067 1/20 0.41
HDAC2 Q92769 3/20 0.41
HDAC4 P56524 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC3 O15379 1/20 0.41

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
SCHEMBL3780951 0.91 GAA (0.56) GAAALDH1A1HTTSMN1; SMN2KDM4E
SCHEMBL3784587 0.88 ALDH1A1 (0.46) GAAALDH1A1HTTSMN1; SMN2MAPT
SCHEMBL3788333 0.86 GAA (0.55) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL3792181 0.82 GAA (0.48) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL3784994 0.82 ALDH1A1 (0.54) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL3787828 0.81 GAA (0.49) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL3786746 0.80 GAA (0.65) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL3785557 0.78 BRD4 (0.41) GAAHDAC2HDAC3HDAC1HDAC10
SCHEMBL3789275 0.78 GAA (0.53) GAAALDH1A1HTTSMN1; SMN2TDP1
SCHEMBL3786248 0.78 GAA (0.53) GAAALDH1A1HTTSMN1; SMN2TDP1

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.