SCHEMBL6305513

SCHEMBL6305513

CN(C)C(=O)c1cc([N+](=O)[O-])[nH]n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DYRK1A Q13627 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
LMNA P02545 2/20 0.33
DAO P14920 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HCAR3 P49019 1/20 0.33
ALDH1A1 P00352 2/20 0.33
ERN1 O75460 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
ALPL P05186 1/20 0.32
ATM Q13315 1/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1554374 0.84 HPGD (0.45) HPGDKMT2AHTTL3MBTL1MEN1
SCHEMBL15981916 0.81 HPGD (0.52) HPGDKMT2AL3MBTL1DYRK1ALMNA
SCHEMBL26820 0.79 HPGD (0.54) HPGDDAOHCAR2HCAR3
SCHEMBL42514 0.77 HPGD (0.52) HPGDKMT2ADYRK1ALMNADAO
SCHEMBL5013388 0.77 HPGD (0.52) HPGDDYRK1ALMNADAOHCAR2
Hydrochloric Acid SCHEMBL27727584 0.77 HPGD (0.52) HPGDDAOHCAR2HCAR3
SCHEMBL25449 0.77 MAPK1 (0.57) HPGDKMT2AL3MBTL1MEN1NPSR1
SCHEMBL18680106 0.77 HPGD (0.49) HPGDKMT2AHTTL3MBTL1MEN1
SCHEMBL5010480 0.75 NOTUM (0.43) HPGDKMT2AMEN1ALDH1A1ERN1
SCHEMBL27727586 0.75 HPGD (0.46) HPGDKMT2AHTTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903131-B2 3,4-di-substituted maleimide compounds as CXC chemokine receptor antagonists SCHERING CORPORATION (US) 2005-06-07 US disclosed
US-6878709-B2 3,4-di-substituted pyridazinediones as CXC chemokine receptor antagonists SCHERING CORPORATION (US) 2005-04-12 US disclosed
EP-1461321-A1 3,4-DI-SUBSTITUTED PYRIDAZINEDIONES AS CXC CHEMOKINE RECEPTOR ANTAGONISTS Schering Corporation (US) 2004-09-29 EP disclosed
US-20040063709-A1 3,4-di-substituted pyridazinediones as CXC chemokine receptor antagonists SCHERING CORPORATION 2004-04-01 US disclosed
US-20040034229-A1 3,4-Di-substituted maleimide compounds as CXC chemokine receptor antagonists SCHERING CORPORATION 2004-02-19 US disclosed
WO-2003057676-A1 3,4-DI-SUBSTITUTED PYRIDAZINEDIONES AS CXC CHEMOKINE RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2003-07-17 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 (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-20040034229-A1 3,4-Di-substituted maleimide compounds as CXC chemokine receptor antagonists CXCR1, CCR1, CCL2 HPGD 404/4885KMT2A 4497/4885HTT 4850/4885
US-20040063709-A1 3,4-di-substituted pyridazinediones as CXC chemokine receptor antagonists CXCR1, CCR1, ACKR3 HPGD 175/4885KMT2A 4671/4885HTT 4862/4885

“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.