SCHEMBL1816358

SCHEMBL1816358

N#Cc1cc([N+](=O)[O-])cnc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.57
HTT P42858 1/20 0.57
GLA P06280 2/20 0.52
VCAM1 P19320 3/20 0.47
XDH P47989 1/20 0.45
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RECQL P46063 1/20 0.41
GRM6 O15303 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL28546650 0.79 GAA (0.54) GAAHTTGLAVCAM1XDH
SCHEMBL1816348 0.79 VCAM1 (0.56) GAAHTTGLAVCAM1XDH
SCHEMBL30618307 0.79 VCAM1 (0.56) GAAHTTGLAVCAM1XDH
SCHEMBL11860384 0.76 VCAM1 (0.61) GAAHTTVCAM1XDHALDH1A1
SCHEMBL27579425 0.76 ALDH1A1 (0.47) GAAHTTALDH1A1LMNAMAPT
SCHEMBL29874648 0.74 GAA (0.49) GAAHTTGLAVCAM1XDH
SCHEMBL18839626 0.74 GAA (0.49) GAAHTTGLAVCAM1XDH
SCHEMBL14659678 0.74 ALDH1A1 (0.44) HTTALDH1A1LMNAMAPTMEN1
SCHEMBL30557784 0.74 ALDH1A1 (0.50) GAAHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL2178791 0.74 ALDH1A1 (0.50) GAAHTTALDH1A1MAPTSMN1; SMN2

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
WO-2014207508-A1 PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS Piramal Enterprises Limited (IN) 2014-12-31 WO disclosed
US-20110212918-A1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
WO-2011060199-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-20110212918-A1 BORON-CONTAINING SMALL MOLECULES BCL6B, BCL6, BTD GAA 536/4885HTT 4165/4885GLA 674/4885

“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.