SCHEMBL3780975

SCHEMBL3780975

CC(=O)c1cccc(N)c1-c1ccccc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.51
PDK2 Q15119 1/20 0.46
MYC P01106 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
ADORA2A P29274 2/20 0.44
PTPRC P08575 1/20 0.44
HSD17B10 Q99714 2/20 0.43
CFTR P13569 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
MMP2 P08253 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
FGR P09769 1/20 0.39
PIM1 P11309 1/20 0.39

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
SCHEMBL10333841 0.85 ADORA2A (0.47) BRD4MYCALDH1A1KDM4EKMT2A
SCHEMBL10527823 0.84 MYC (0.57) BRD4MYCALDH1A1KDM4EKMT2A
SCHEMBL17744779 0.83 MMP2 (0.55) MYCALDH1A1KDM4EKMT2AMEN1
SCHEMBL3786213 0.83 KEAP1 (0.58) BRD4PDK2MYCALDH1A1KDM4E
SCHEMBL3794838 0.82 BRD4 (0.56) BRD4MYCALDH1A1HSD17B10CFTR
SCHEMBL3784979 0.81 BRD4 (0.51) BRD4PDK2MYCALDH1A1KDM4E
SCHEMBL3786839 0.81 MAPT (0.47) BRD4PDK2MYCALDH1A1KDM4E
2-Aminoacetophenone SCHEMBL29366456 0.78 ALDH1A1 (0.59) BRD4ALDH1A1KDM4EHSD17B10CFTR
2-Aminoacetophenone SCHEMBL309044 0.78 ALDH1A1 (0.59) BRD4ALDH1A1KDM4EHSD17B10CFTR
SCHEMBL17744822 0.77 MMP2 (0.57) MYCALDH1A1KDM4EKMT2AMEN1

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 BRD4 96/4885PDK2 1089/4885MYC 825/4885

“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.