SCHEMBL12422176

SCHEMBL12422176

COc1cc(-c2nc3ccc(C)cc3s2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
APP P05067 5/20 0.51
KDM4E B2RXH2 5/20 0.51
GLA P06280 4/20 0.51
GAA P10253 4/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.49
TP53 P04637 3/20 0.49
BLM P54132 1/20 0.49
RORC P51449 3/20 0.49
SNCA P37840 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
PPARG P37231 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL1983051 0.88 APP (0.58) APPGLAGAARAB9AMEN1
SCHEMBL13167858 0.81 APP (0.47) MAPTAPPKDM4EGLAGAA
SCHEMBL12422159 0.81 APP (0.53) MAPTAPPKDM4EGLAGAA
SCHEMBL2628245 0.79 RORC (0.68) MAPTAPPKDM4EGLAGAA
SCHEMBL12422175 0.79 APP (0.64) MAPTAPPKDM4EGLAGAA
SCHEMBL11972685 0.79 APP (0.58) APPGLAGAARAB9AMEN1
SCHEMBL10311768 0.79 RORC (0.71) MAPTAPPKDM4EGLAGAA
SCHEMBL13185654 0.78 SULT1A1 (0.45) MAPTAPPKDM4EGLAGAA
SCHEMBL425259 0.75 TSHR (0.62) MAPTKDM4ENPC1ALDH1A1HPGD
SCHEMBL11972979 0.74 RORC (0.49) MAPTAPPKDM4EGLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 MAPT 1/4885APP 17/4885KDM4E 4073/4885

“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.