SCHEMBL3784889

SCHEMBL3784889

CN(C)C(=O)c1cc(B(O)O)cc(C(=O)N(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ERN1 O75460 5/20 0.38
HSP90AA1 P07900 1/20 0.33
PDK2 Q15119 1/20 0.33
MAPT P10636 1/20 0.33
BRD4 O60885 1/20 0.32
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL29821598 0.87 CES2 (0.38) ALDH1A1HPGDSMN1; SMN2PDE3BPDE3A
SCHEMBL3764991 0.87 CES2 (0.38) ALDH1A1HPGDSMN1; SMN2PDE3BPDE3A
SCHEMBL2073770 0.87 PDE3B (0.39) ALDH1A1HPGDSMN1; SMN2PDE3BPDE3A
SCHEMBL12221612 0.83 SMN1; SMN2 (0.52) ALDH1A1HPGDSMN1; SMN2ERN1HSP90AA1
SCHEMBL25159879 0.82 ENPP2 (0.42) ALDH1A1HPGDSMN1; SMN2PDE3BPDE3A
SCHEMBL29957193 0.81 KMT2A (0.51) ALDH1A1HPGDSMN1; SMN2ERN1MAPT
SCHEMBL3759687 0.81 KMT2A (0.51) ALDH1A1HPGDSMN1; SMN2ERN1MAPT
SCHEMBL29902315 0.80 ERN1 (0.48) ALDH1A1HPGDSMN1; SMN2ERN1KMT2A
SCHEMBL177412 0.80 ERN1 (0.48) ALDH1A1HPGDSMN1; SMN2ERN1KMT2A
SCHEMBL29955223 0.79 SMN1; SMN2 (0.41) ALDH1A1HPGDSMN1; SMN2PDE3BPDE3A

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 ALDH1A1 4339/4885HPGD 2790/4885SMN1; 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.