SCHEMBL597274

SCHEMBL597274

Nc1cnc(S(=O)(=O)O)c([N+](=O)[O-])c1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
NSD2 O96028 1/20 0.38
GAA P10253 1/20 0.38
PLCG1 P19174 1/20 0.38
DNMT1 P26358 1/20 0.38
CASP6 P55212 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPY1R P25929 6/20 0.34
NT5E P21589 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
CDK2 P24941 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2683501 0.77 NSD2 (0.38) KDM4ENSD2GAAPLCG1DNMT1
SCHEMBL596752 0.73 ALDH1A1 (0.37) KDM4ENPY1RALDH1A1HPGDALOX15
SCHEMBL7834223 0.68 KDM4E (0.43) KDM4EGAACASP6NPY1RALDH1A1
SCHEMBL7834227 0.68 KDM4E (0.43) KDM4EGAACASP6NPY1RALDH1A1
SCHEMBL8565246 0.68 NSD2 (0.39) KDM4ENSD2GAAPLCG1DNMT1
SCHEMBL6095568 0.68 MEN1 (0.36) KDM4EGAANPY1RNT5EALDH1A1
SCHEMBL6095575 0.68 MEN1 (0.36) KDM4EGAANPY1RNT5EALDH1A1
SCHEMBL8559187 0.65 KDM4E (0.40) KDM4EGAANPY1RALDH1A1HPGD
SCHEMBL23718251 0.63 KDM4E (0.38) KDM4EGAACASP6NT5EALDH1A1
SCHEMBL8560999 0.63 HTT (0.41) KDM4ENSD2GAAPLCG1DNMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115007-B2 Synthesis of diaminodinitropyridine E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-02-14 US claimed
EP-2217570-A2 SYNTHESIS OF DIAMINODINITROPYRIDINE AND DIAMINODINITROBENZENE E. I. du Pont de Nemours and Company (US) 2010-08-18 EP claimed
WO-2009070515-A2 SYNTHESIS OF DIAMINODINITROPYRIDINE AND DIAMINODINITROBENZENE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2009-06-04 WO claimed
US-20090137814-A1 Synthesis of diaminodinitropyridine DUPONT SAFETY & CONSTRUCTION, INC. 2009-05-28 US claimed

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-20090137814-A1 Synthesis of diaminodinitropyridine ODC1, NOS1, SRM KDM4E 2615/4885NSD2 1321/4885GAA 3960/4885

“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.