SCHEMBL12422182

SCHEMBL12422182

CCCOCCOCCOc1cc([N+](=O)[O-])ccc1-c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MMP13 P45452 1/20 0.49
MAPT P10636 6/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
CYP19A1 P11511 6/20 0.41
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
GLA P06280 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HCRTR1 O43613 1/20 0.41
GAA P10253 1/20 0.41
EIF4A1 P60842 1/20 0.41

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
SCHEMBL12422167 0.94 APP (0.49) APPMMP2MMP9MMP8MMP13
SCHEMBL12422166 0.94 APP (0.53) APPMMP2MMP9MMP8MMP13
SCHEMBL1985282 0.92 MMP13 (0.49) APPMMP2MMP9MMP8MMP13
SCHEMBL2192897 0.85 APP (0.50) APPMMP2MMP9MMP8MMP13
SCHEMBL12422179 0.82 MAPT (0.50) APPMMP9MMP8MAPTALDH1A1
SCHEMBL1984479 0.82 MAPT (0.62) APPMMP2MMP9MMP8MMP13
SCHEMBL12422214 0.77 MAPT (0.53) MAPTLMNAALDH1A1KDM4EKMT2A
SCHEMBL12422162 0.76 MMP13 (0.63) APPMMP2MMP9MMP8MMP13
SCHEMBL12422178 0.75 MAPT (0.54) APPMMP9MMP8MAPTALDH1A1
SCHEMBL1982194 0.74 APP (0.64) APPMMP2MMP9MMP8MMP13

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 APP 17/4885MMP2 4289/4885MMP9 4796/4885

“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.