SCHEMBL1817167

SCHEMBL1817167

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 2/20 0.49
MAPT P10636 3/20 0.47
HTT P42858 2/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 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
SCHEMBL1820376 0.87 POLB (0.59) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL1819723 0.83 POLB (0.46) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL9119558 0.82 POLB (0.66) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL11086324 0.82 KMT2A (0.76) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL2069778 0.80 MAPT (0.69) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL9123407 0.80 ALDH1A1 (0.64) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL2070549 0.79 MAPT (0.70) ALDH1A1KMT2ASMN1; SMN2POLBMAPT
SCHEMBL10489728 0.79 SMN1; SMN2 (0.65) ALDH1A1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL11159531 0.78 MAPT (0.62) ALDH1A1KMT2ASMN1; SMN2MAPTHTT
SCHEMBL2070357 0.78 KMT2A (0.55) ALDH1A1KMT2ASMN1; SMN2MAPTHTT

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 6 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-8461134-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US disclosed
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
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 ALDH1A1 4190/4885KMT2A 1841/4885SMN1; SMN2 4069/4885

“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.