SCHEMBL2216336

SCHEMBL2216336

O=C(NCCOCc1ccccc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 3/20 0.66
HTT P42858 3/20 0.66
PKM P14618 1/20 0.66
SMN1; SMN2 Q16637 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
TAAR1 Q96RJ0 1/20 0.54
GAA P10253 2/20 0.54
ALOX5 P09917 2/20 0.53
THRB P10828 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL1578808 0.90 MAPT (0.57) LMNAMEN1KMT2AMAPTHTT
SCHEMBL2216223 0.88 MEN1 (0.54) LMNAMEN1KMT2AMAPTHTT
SCHEMBL1578827 0.88 SMN1; SMN2 (0.56) LMNAMEN1KMT2AMAPTHTT
SCHEMBL1578846 0.87 L3MBTL1 (0.62) LMNAMEN1KMT2AMAPTHTT
SCHEMBL2219207 0.86 GAA (0.57) LMNAMEN1KMT2AMAPTHTT
SCHEMBL1578835 0.86 MEN1 (0.64) LMNAMEN1KMT2AMAPTHTT
SCHEMBL2218076 0.85 MEN1 (0.73) LMNAMEN1KMT2AMAPTHTT
SCHEMBL1578577 0.84 MEN1 (0.52) LMNAMEN1KMT2AMAPTHTT
SCHEMBL1578103 0.83 MEN1 (0.58) LMNAMEN1KMT2AMAPTHTT
SCHEMBL1578022 0.83 MAPT (0.53) LMNAMEN1KMT2AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2310388-B1 PYRIDOPYRIMIDINE COMPOUNDS AS ANTI-TUBERCULAR AGENTS PASTEUR INSTITUT KOREA (KR) 2015-08-05 EP disclosed
CN-103983627-A Pyridopyrimidine compounds as anti-tubercular agents PASTEUR INSTITUT KOREA 2014-08-13 CN disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
CN-102105470-B Pyridopyrimidine compounds as antitubercular agents PASTEUR INSTITUT KOREA 2014-06-04 CN disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
CN-102105470-A Pyridopyrimidine compounds as antitubercular agents PASTEUR INSTITUT KOREA 2011-06-22 CN disclosed
WO-2010003533-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-01-14 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 LMNA 4132/4885MEN1 3685/4885KMT2A 4781/4885

“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.