SCHEMBL1985282

SCHEMBL1985282

COCCOCCOCCOc1cc([N+](=O)[O-])ccc1-c1nc2ccccc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.49
APP P05067 1/20 0.49
MMP2 P08253 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
MAPT P10636 4/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HCRTR1 O43613 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
EGFR P00533 1/20 0.42
INSR P06213 1/20 0.42
IGF1R P08069 1/20 0.42
PDGFRB P09619 1/20 0.42

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 0.92 APP (0.49) MMP13APPMMP2MMP9MMP8
SCHEMBL12422182 0.92 APP (0.49) MMP13APPMMP2MMP9MMP8
SCHEMBL12422166 0.88 APP (0.53) MMP13APPMMP2MMP9MMP8
SCHEMBL2192897 0.85 APP (0.50) MMP13APPMMP2MMP9MMP8
SCHEMBL1984479 0.84 MAPT (0.62) MMP13APPMMP2MMP9MMP8
SCHEMBL1984187 0.82 KDM4E (0.50) APPMMP9MMP8MAPTALDH1A1
SCHEMBL12509534 0.82 MAPT (0.46) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL16674145 0.79 APP (0.52) MMP13APPMMP2MMP9MMP8
SCHEMBL2191465 0.78 MAPT (0.52) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL28822619 0.76 MAPT (0.55) MMP13APPMMP2MMP9MMP8

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
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
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
EP-2338059-A1 LIGANDS FOR AGGREGATED TAU MOLECULES Wista Laboratories Ltd. (SG) 2011-06-29 EP disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 MMP13 4765/4885APP 17/4885MMP2 4289/4885

“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.