SCHEMBL1817171

SCHEMBL1817171

CCOC(=O)N(c1cccc([N+](=O)[O-])c1)S(=O)(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.46
MEN1 O00255 5/20 0.46
PKM P14618 2/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
CCR6 P51684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
LMNA P02545 3/20 0.45
GLO1 Q04760 1/20 0.45
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 2/20 0.44
CACNA1F O60840 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44

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
SCHEMBL1820379 0.86 MEN1 (0.47) KMT2AMEN1NPC1HSP90AA1HPGD
SCHEMBL1819726 0.83 MAPK1 (0.45) KMT2AMEN1HPGDLMNASMN1; SMN2
SCHEMBL11086328 0.81 GLO1 (0.49) KMT2AMEN1PKMNPC1HSP90AA1
SCHEMBL11455515 0.81 GLO1 (0.49) KMT2AMEN1PKMNPC1HSP90AA1
SCHEMBL641529 0.74 PKM (0.51) KMT2AMEN1PKMHPGDLMNA
SCHEMBL28592218 0.72 GAA (0.47) KMT2AMEN1PKMNPC1HSP90AA1
SCHEMBL1818402 0.72 SMN1; SMN2 (0.46) KMT2AMEN1PKMNPC1HSP90AA1
SCHEMBL3866227 0.71 KDM4E (0.47) KMT2AMEN1NPC1HPGDLMNA
Dinitrophenylene SCHEMBL28580588 0.71 GLO1 (0.59) KMT2AMEN1PKMNPC1HSP90AA1
Dinitrophenylene SCHEMBL27521455 0.71 GLO1 (0.59) KMT2AMEN1PKMNPC1HSP90AA1

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 KMT2A 1841/4885MEN1 818/4885PKM 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.