SCHEMBL3788331

SCHEMBL3788331

CN(C)C(=O)c1ccc(B(O)O)cc1C(=O)N(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CA2 P00918 2/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CA1 P00915 1/20 0.35
ENPP2 Q13822 1/20 0.34
HPGD P15428 3/20 0.34
KEAP1 Q14145 1/20 0.34
HSP90AA1 P07900 1/20 0.34
PDK2 Q15119 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.33
TTR P02766 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
SCHEMBL22575311 0.85 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL15465164 0.84 AR (0.45) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL29954754 0.84 KMT2A (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL14875768 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AENPP2
SCHEMBL875274 0.84 KMT2A (0.40) ALDH1A1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL751221 0.84 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AENPP2HPGD
SCHEMBL29951692 0.84 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AENPP2
SCHEMBL3791204 0.74 CA2 (0.39) ALDH1A1SMN1; SMN2CA2LPLLIPG
SCHEMBL134473 0.74 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2CA2LPLLIPG
SCHEMBL3780795 0.72 HPGD (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ACA2

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 4339/4885SMN1; SMN2 4524/4885MEN1 174/4885

“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.