SCHEMBL2216523

SCHEMBL2216523

O=C(NCCOCc1ccccc1)c1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
POLB P06746 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PLCG2 P16885 1/20 0.45
LMNA P02545 2/20 0.45

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
SCHEMBL10435791 0.79 HPGD (0.54) HPGDPOLBMEN1KMT2AMAPK1
SCHEMBL27600331 0.76 CTSD (0.49) HPGDPOLBMEN1KMT2AL3MBTL1
SCHEMBL15033602 0.75 NPC1 (0.67) HPGDPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL2216336 0.75 LMNA (0.66) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL17442116 0.74 HPGD (0.46) HPGDPOLBMEN1KMT2AMAPK1
SCHEMBL7162161 0.73 NPC1 (0.64) HPGDPOLBMEN1KMT2AL3MBTL1
SCHEMBL782110 0.72 CTSD (0.73) HPGDPOLBALDH1A1SMN1; SMN2HTT
SCHEMBL1577945 0.72 SMN1; SMN2 (0.75) HPGDPOLBMEN1KMT2AALDH1A1
SCHEMBL11423315 0.72 GPR35 (0.47) POLBMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL394290 0.72 MEN1 (0.65) MEN1KMT2AALDH1A1SMN1; SMN2HTT

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
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
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
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

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 HPGD 1413/4885POLB 550/4885MEN1 3685/4885

“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.