SCHEMBL3780951

SCHEMBL3780951

COc1ccc(OC(=O)Nc2c(N)cccc2-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
POLB P06746 2/20 0.49
HDAC2 Q92769 3/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3786385 0.91 GAA (0.48) GAAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL3788333 0.90 GAA (0.55) GAAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL3784587 0.89 ALDH1A1 (0.46) GAAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL3790015 0.82 ALDH1A1 (0.56) GAAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL3786746 0.81 GAA (0.65) GAAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL3782181 0.81 ALDH1A1 (0.57) GAAALDH1A1SMN1; SMN2HTTHDAC2
SCHEMBL3790147 0.80 GAA (0.60) GAAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL3788115 0.79 ALDH1A1 (0.62) GAAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL3789400 0.79 GAA (0.62) GAAALDH1A1SMN1; SMN2HTTPOLB
SCHEMBL3792279 0.78 ALDH1A1 (0.54) GAAALDH1A1SMN1; SMN2HTTHDAC2

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.