SCHEMBL12422162

SCHEMBL12422162

Cc1cc([N+](=O)[O-])ccc1-c1nc2ccccc2s1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.63
APP P05067 1/20 0.63
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
MMP8 P22894 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.51
HTT P42858 1/20 0.51
MAPT P10636 7/20 0.50
TP53 P04637 2/20 0.50
ILK Q13418 3/20 0.49
LMNA P02545 1/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48

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
SCHEMBL12422157 0.86 HTT (0.57) MMP13APPMMP2MMP9MMP8
SCHEMBL1982194 0.85 APP (0.64) MMP13APPMMP2MMP9MMP8
SCHEMBL3201047 0.84 APP (0.52) MMP13APPMMP2MMP9MMP8
SCHEMBL4784061 0.84 MMP13 (0.63) MMP13APPMMP2MMP9MMP8
SCHEMBL1984479 0.84 MAPT (0.62) MMP13APPMMP2MMP9MMP8
SCHEMBL8532333 0.83 APP (0.64) MMP13APPMMP2MMP9MMP8
SCHEMBL2243418 0.82 MMP13 (0.63) MMP13APPMMP2MMP9MMP8
SCHEMBL2248521 0.82 EGFR (0.63) MMP13APPMMP2MMP9MMP8
SCHEMBL30844008 0.82 EGFR (0.63) MMP13APPMMP2MMP9MMP8
SCHEMBL11011564 0.81 MMP13 (0.59) 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 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 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.