SCHEMBL2280933

SCHEMBL2280933

O=Cc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ERN1 O75460 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
TERT O14746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TYMS P04818 1/20 0.40
GFER P55789 1/20 0.40
PTGIR P43119 1/20 0.39
PDK1 Q15118 1/20 0.39
LMNA P02545 3/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6173137 0.82 ERN1 (0.58) ERN1ALDH1A1SMN1; SMN2TDP1HTT
SCHEMBL2279052 0.78 TDP1 (0.44) MAPTMEN1KMT2AERN1ALDH1A1
SCHEMBL4163474 0.76 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL3328543 0.76 MAPT (0.79) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL13111360 0.76 ALDH1A1 (0.50) MAPTMEN1KMT2AERN1ALDH1A1
SCHEMBL13578659 0.75 TDP1 (0.49) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL163364 0.75 MAPT (0.66) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL7136659 0.74 MAPT (0.56) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934649 0.74 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8934655 0.74 MAPT (0.76) MAPTMEN1KMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-9493489-B2 Boron-containing small molecules as anti-protozoal agents ANACOR PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
US-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2011-08-25 US disclosed
WO-2010045503-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2010-04-22 WO disclosed
WO-2010045503-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2010-04-22 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-20110207702-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-PROTOZOAL AGENTS BRDT, BRI3BP, BTN3A1 MAPT 2441/4885MEN1 198/4885KMT2A 2171/4885

“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.