SCHEMBL3790147

SCHEMBL3790147

COc1ccc(OC(=O)Nc2cccc(-c3ccccc3N)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.60
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 1/20 0.60
ADORA3 P0DMS8 1/20 0.52
CYP1A2 P05177 1/20 0.49
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
KCNK9 Q9NPC2 1/20 0.46
KDR P35968 1/20 0.46
POLB P06746 3/20 0.45
FAAH O00519 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPK1 P28482 1/20 0.45
TP53 P04637 2/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 2/20 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
SCHEMBL3790992 0.87 GAA (0.56) GAAALDH1A1SMN1; SMN2HTTADORA3
SCHEMBL3786746 0.86 GAA (0.65) GAAALDH1A1SMN1; SMN2HTTCYP1A2
SCHEMBL3784624 0.85 ALDH1A1 (0.59) GAAALDH1A1SMN1; SMN2HTTCYP1A2
SCHEMBL3786389 0.85 ALDH1A1 (0.59) GAAALDH1A1SMN1; SMN2HTTCYP1A2
SCHEMBL3788115 0.84 ALDH1A1 (0.62) GAAALDH1A1SMN1; SMN2HTTADORA3
SCHEMBL3789400 0.84 GAA (0.62) GAAALDH1A1SMN1; SMN2HTTADORA3
SCHEMBL3794426 0.84 ALDH1A1 (0.61) GAAALDH1A1SMN1; SMN2HTTADORA3
SCHEMBL3781736 0.83 GAA (0.51) GAAALDH1A1SMN1; SMN2HTTADORA3
SCHEMBL3786296 0.83 ALDH1A1 (0.51) GAAALDH1A1SMN1; SMN2HTTADORA3
SCHEMBL3791270 0.83 HDAC2 (0.58) GAAALDH1A1SMN1; SMN2HTTADORA3

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.