SCHEMBL1820376

SCHEMBL1820376

COC(=O)Nc1cc([N+](=O)[O-])ccc1S(=O)(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
HTT P42858 2/20 0.59
PKM P14618 1/20 0.59
ALDH1A1 P00352 5/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.46
KMT2A Q03164 7/20 0.45
MEN1 O00255 6/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
BLM P54132 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL1819723 0.87 POLB (0.46) POLBHTTPKMALDH1A1KMT2A
SCHEMBL1817167 0.87 ALDH1A1 (0.53) POLBHTTPKMALDH1A1GAA
SCHEMBL1815770 0.80 PKM (0.65) POLBHTTPKMALDH1A1GLA
SCHEMBL1819382 0.80 PDK1 (0.55) HTTALDH1A1GLAGAAKMT2A
SCHEMBL11137615 0.79 HTT (0.67) POLBHTTPKMALDH1A1GLA
SCHEMBL13408570 0.78 POLB (0.50) POLBHTTPKMALDH1A1GAA
SCHEMBL30047022 0.78 POLB (0.50) POLBHTTPKMALDH1A1GAA
SCHEMBL2311747 0.77 HTT (0.65) POLBHTTPKMALDH1A1GLA
SCHEMBL12359723 0.77 HTT (0.78) POLBHTTPKMALDH1A1KMT2A
SCHEMBL2312483 0.77 HTT (0.65) POLBHTTPKMALDH1A1GLA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
US-20110172187-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-07-14 US disclosed
WO-2011060196-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-19 WO 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-20110172187-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD POLB 721/4885HTT 4165/4885PKM 4195/4885

“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.