SCHEMBL2544846

SCHEMBL2544846

CCCC=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.57
APP P05067 1/20 0.56
FBP1 P09467 1/20 0.55
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PTGS1 P23219 2/20 0.49
CYP19A1 P11511 2/20 0.49
MAOB P27338 2/20 0.46
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOA P21397 1/20 0.45

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
SCHEMBL2544845 1.00 PTGS2 (0.57) PTGS2APPFBP1NPC1MAPT
SCHEMBL15689017 0.90 PTGS2 (0.54) PTGS2APPFBP1NPC1MAPT
SCHEMBL15689016 0.90 PTGS2 (0.54) PTGS2APPFBP1NPC1MAPT
SCHEMBL10557392 0.89 APP (0.64) PTGS2APPFBP1NPC1MAPT
SCHEMBL10557386 0.89 APP (0.64) PTGS2APPFBP1NPC1MAPT
SCHEMBL6437741 0.88 PTGS2 (0.53) PTGS2APPFBP1NPC1MAPT
SCHEMBL6437682 0.88 PTGS2 (0.53) PTGS2APPFBP1NPC1MAPT
SCHEMBL6437684 0.88 PTGS2 (0.53) PTGS2APPFBP1NPC1MAPT
SCHEMBL8670886 0.87 PTGS2 (0.51) PTGS2APPFBP1NPC1MAPT
SCHEMBL15688633 0.87 PTGS2 (0.51) PTGS2APPFBP1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263879-A1 ZWITTERIONIC PHOSPHONIUM SALTS THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2011-10-27 US 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-20110263879-A1 ZWITTERIONIC PHOSPHONIUM SALTS CX3CR1, PHOSPHO1, CBR3 PTGS2 4164/4885APP 699/4885FBP1 373/4885

“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.