SCHEMBL2215772

SCHEMBL2215772

COc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.80
MEN1 O00255 4/20 0.80
L3MBTL1 Q9Y468 2/20 0.80
MAPT P10636 5/20 0.78
LMNA P02545 3/20 0.78
GAA P10253 2/20 0.78
HTT P42858 1/20 0.73
ALOX5 P09917 1/20 0.63
NPC1 O15118 4/20 0.61
RAB9A P51151 2/20 0.60
RECQL P46063 1/20 0.60
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.53
BRD4 O60885 1/20 0.53

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
SCHEMBL2218744 0.96 MEN1 (0.75) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL27182266 0.92 MEN1 (0.69) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL27182343 0.92 MEN1 (0.69) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL27182275 0.92 MEN1 (0.69) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL1578099 0.90 MAPT (0.74) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL2217583 0.89 KMT2A (1.00) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL1578309 0.89 MEN1 (0.72) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL2219069 0.89 LMNA (0.76) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL15693741 0.88 KMT2A (0.77) KMT2AMEN1L3MBTL1MAPTLMNA
SCHEMBL2217132 0.88 MAPT (0.74) KMT2AMEN1L3MBTL1MAPTLMNA

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
CN-116042209-A Preparation method and application of mesoporous silicon-based aggregation-induced emission material 中国科学院上海硅酸盐研究所 2023-05-02 CN 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.