SCHEMBL1011200

SCHEMBL1011200

O=[N+]([O-])c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3)C2C(Cl)(Cl)Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
SIRT6 Q8N6T7 2/20 0.46
POLB P06746 2/20 0.46
ALDH1A1 P00352 2/20 0.46
ADRB1 P08588 1/20 0.46
LMNA P02545 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL1012105 0.73 HRH3 (0.40) POLBALDH1A1MEN1KMT2A
SCHEMBL6493247 0.72 MAPT (0.56) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL2537629 0.72 POLB (0.49) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL6095682 0.72 MAPT (0.47) MAPTSIRT6POLBALDH1A1ADRB1
Fluoride SCHEMBL2534999 0.71 POLB (0.47) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL6151230 0.70 SIRT6 (0.81) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL15271381 0.70 SIRT6 (0.81) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL17631074 0.70 SIRT6 (0.58) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL30912466 0.70 POLB (0.46) MAPTSIRT6POLBALDH1A1ADRB1
SCHEMBL30912409 0.70 POLB (0.46) MAPTSIRT6POLBALDH1A1ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1372844-B1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2011-01-05 EP claimed
US-6838489-B2 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor CYMETECH, LLC (US) 2005-01-04 US claimed
US-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-07-31 US claimed
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-05-01 US claimed
US-20120241250-A1 Aerial Work Platforms and Aerial Work Platform Assemblies Comprised of Polymerized Cycloolefin Monomers EAKIN GEORGE R (US) 2012-09-27 US disclosed
EP-1372844-B1 HIGH ACTIVITY METAL CARBENE METATHESIS CATALYSTS GENERATED USING A THERMALLY ACTIVATED N-HETEROCYCLIC CARBENE PRECURSOR CALIFORNIA INST OF TECHN (US) 2011-01-05 EP disclosed
US-6838489-B2 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor CYMETECH, LLC (US) 2005-01-04 US disclosed
US-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-07-31 US disclosed
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor STERLING JA, L.C. 2003-05-01 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 (2 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-20030144437-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 MAPT 4167/4885SIRT6 921/4885POLB 498/4885
US-20030083445-A1 High activity metal carbene metathesis catalysts generated using a thermally activated N-heterocyclic carbene precursor NQO1, NIT2, ALOX5 MAPT 4167/4885SIRT6 921/4885POLB 498/4885

“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.