SCHEMBL2215399

SCHEMBL2215399

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(O)C1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MGLL Q99685 2/20 0.44
HSD11B1 P28845 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL2215394 1.00 L3MBTL1 (0.58) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL1580369 0.91 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL14894861 0.86 RXFP1 (0.65) ALDH1A1KMT2AMEN1RXFP1MGLL
SCHEMBL2217919 0.79 L3MBTL1 (0.52) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2219080 0.79 L3MBTL1 (0.52) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2217917 0.79 L3MBTL1 (0.52) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL13539432 0.78 L3MBTL1 (0.73) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2220814 0.78 EPHX2 (0.51) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL2220817 0.78 EPHX2 (0.51) L3MBTL1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL15271592 0.77 RXFP1 (0.72) ALDH1A1KMT2ARXFP1MGLLHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US 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

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 L3MBTL1 643/4885ALDH1A1 3932/4885NPC1 402/4885

“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.