SCHEMBL3784994

SCHEMBL3784994

COc1ccc(OC(=O)Nc2ccccc2-c2ccc(N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
GAA P10253 3/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CHRM3 P20309 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 4/20 0.47
CYP1A2 P05177 1/20 0.46
HPGD P15428 1/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC4 P56524 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL3792181 0.90 GAA (0.48) ALDH1A1GAAHTTSMN1; SMN2CHRM3
SCHEMBL3786232 0.87 GAA (0.48) ALDH1A1GAAHTTSMN1; SMN2CHRM3
SCHEMBL3790093 0.87 ALDH1A1 (0.47) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL3785865 0.86 CHRM3 (0.54) ALDH1A1GAAHTTSMN1; SMN2CHRM3
SCHEMBL3789066 0.85 GAA (0.55) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL3784057 0.85 GAA (0.55) ALDH1A1GAAHTTSMN1; SMN2CHRM3
SCHEMBL3792210 0.84 ALDH1A1 (0.56) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL3790015 0.83 ALDH1A1 (0.56) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL3787828 0.83 GAA (0.49) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL3786385 0.82 GAA (0.48) ALDH1A1GAAHTTSMN1; SMN2KDM4E

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 1755/4885HTT 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.