SCHEMBL3785865

SCHEMBL3785865

COc1ccc(OC(=O)Nc2ccccc2-c2cccc(N)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.54
ALDH1A1 P00352 9/20 0.50
GAA P10253 2/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 6/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 4/20 0.46
CYP1A2 P05177 1/20 0.43
HPGD P15428 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL3788381 0.92 CHRM3 (0.46) CHRM3ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3788078 0.90 ALDH1A1 (0.47) CHRM3ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3783478 0.90 ALDH1A1 (0.47) CHRM3ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3784994 0.86 ALDH1A1 (0.54) CHRM3ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3781929 0.85 ALDH1A1 (0.47) CHRM3ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3784587 0.84 ALDH1A1 (0.46) CHRM3ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3784057 0.84 GAA (0.55) CHRM3ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL3789066 0.84 GAA (0.55) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL3785129 0.83 ALDH1A1 (0.47) ALDH1A1GAAHTTSMN1; SMN2KMT2A
SCHEMBL3791875 0.83 HDAC2 (0.58) ALDH1A1GAAHTTSMN1; SMN2KMT2A

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 CHRM3 1707/4885ALDH1A1 4339/4885GAA 1755/4885

“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.