SCHEMBL3784725

SCHEMBL3784725

COc1ccc(OC(=O)Nc2cc(-c3ccccc3)ccc2N)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 12/20 0.71
HDAC1 Q13547 8/20 0.60
HDAC3 O15379 6/20 0.60
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC4 P56524 1/20 0.51
HDAC7 Q8WUI4 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC11 Q96DB2 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
HDAC5 Q9UQL6 1/20 0.51
PORCN Q9H237 1/20 0.49
ADORA3 P0DMS8 1/20 0.48

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
SCHEMBL3786175 0.91 HDAC2 (0.62) HDAC2HDAC1HDAC3ALDH1A1GAA
SCHEMBL3791875 0.90 HDAC2 (0.58) HDAC2HDAC1HDAC3ALDH1A1GAA
SCHEMBL3790648 0.90 HDAC2 (0.57) HDAC2HDAC1HDAC3ALDH1A1GAA
SCHEMBL3791270 0.88 HDAC2 (0.58) HDAC2HDAC1HDAC3ALDH1A1GAA
SCHEMBL12933378 0.85 HDAC2 (0.93) HDAC2HDAC1HDAC3HDAC4HDAC7
Dimethylamine SCHEMBL1067124 0.82 HDAC2 (0.88) HDAC2HDAC1HDAC3HDAC4HDAC7
SCHEMBL3790195 0.81 HDAC2 (0.49) HDAC2HDAC1HDAC3ALDH1A1GAA
SCHEMBL3782181 0.81 ALDH1A1 (0.57) HDAC2HDAC1HDAC3ALDH1A1GAA
SCHEMBL3785129 0.80 ALDH1A1 (0.47) HDAC2HDAC1HDAC3ALDH1A1GAA
SCHEMBL12933399 0.79 HDAC2 (0.87) HDAC2HDAC1HDAC3ALDH1A1GAA

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 HDAC2 549/4885HDAC1 1686/4885HDAC3 2675/4885

“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.