SCHEMBL2217583

SCHEMBL2217583

COc1cccc(OCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 1.00
MEN1 O00255 3/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
LMNA P02545 4/20 0.72
MAPT P10636 3/20 0.72
HTT P42858 1/20 0.72
GAA P10253 2/20 0.66
NPC1 O15118 1/20 0.62
RECQL P46063 1/20 0.62
RAB9A P51151 1/20 0.62
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
ALDH1A1 P00352 3/20 0.58
ALOX5 P09917 1/20 0.53
BRD4 O60885 1/20 0.53
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL2215772 0.89 KMT2A (0.80) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL15693731 0.87 MEN1 (0.77) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL1578589 0.87 KMT2A (0.95) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL1580078 0.86 MEN1 (0.76) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL2218744 0.86 MEN1 (0.75) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL1578369 0.85 MEN1 (0.74) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL2218076 0.84 MEN1 (0.73) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL1578309 0.84 MEN1 (0.72) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL27182272 0.83 KMT2A (0.88) KMT2AMEN1L3MBTL1LMNAMAPT
SCHEMBL1578099 0.82 MAPT (0.74) KMT2AMEN1L3MBTL1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743446-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA Board of Trustees of Michigan State University (US) 2026-05-20 EP disclosed
WO-2025015066-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2025-01-16 WO disclosed
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
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 KMT2A 4781/4885MEN1 3685/4885L3MBTL1 643/4885

“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.