SCHEMBL3789062

SCHEMBL3789062

COc1ccc(OC(=O)Nc2ccc(-c3ccccc3N)cc2N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HDAC1 Q13547 8/20 0.49
HDAC2 Q92769 6/20 0.49
HDAC3 O15379 5/20 0.49
HDAC4 P56524 4/20 0.49
HDAC7 Q8WUI4 4/20 0.49
HDAC10 Q969S8 4/20 0.49
HDAC11 Q96DB2 4/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC6 Q9UBN7 4/20 0.49
HDAC9 Q9UKV0 4/20 0.49
HDAC5 Q9UQL6 4/20 0.49
ABCB1 P08183 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ABCC1 P33527 1/20 0.43
EPHA2 P29317 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
SCHEMBL3791270 0.90 HDAC2 (0.58) GAAALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL3790648 0.88 HDAC2 (0.57) GAAALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL3790195 0.84 HDAC2 (0.49) GAAALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL3786746 0.84 GAA (0.65) GAAALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL3792210 0.83 ALDH1A1 (0.56) GAAALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL3785129 0.83 ALDH1A1 (0.47) GAAALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL3790147 0.83 GAA (0.60) GAAALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL3789846 0.83 GAA (0.50) GAAALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL3792279 0.81 ALDH1A1 (0.54) GAAALDH1A1HTTSMN1; SMN2HDAC1
SCHEMBL3792208 0.81 GAA (0.50) GAAALDH1A1HTTSMN1; SMN2HDAC1

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.