SCHEMBL2220814

SCHEMBL2220814

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](NC2CCCCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
OPRK1 P41145 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RHOA P61586 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2220817 1.00 EPHX2 (0.51) EPHX2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL2219952 0.79 SPR (0.53) ALDH1A1L3MBTL1NPC1RAB9ARXFP1
SCHEMBL2219945 0.79 SPR (0.53) ALDH1A1L3MBTL1NPC1RAB9ARXFP1
SCHEMBL2222426 0.78 L3MBTL1 (0.50) EPHX2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL2222423 0.78 L3MBTL1 (0.50) EPHX2ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL2215394 0.78 L3MBTL1 (0.58) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL2215399 0.78 L3MBTL1 (0.58) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL2218474 0.76 BCHE (0.57) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL2218481 0.76 BCHE (0.57) ALDH1A1L3MBTL1NPC1RAB9AKMT2A
SCHEMBL27182236 0.75 L3MBTL1 (0.71) ALDH1A1L3MBTL1NPC1RAB9AKMT2A

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 7 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
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
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
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 EPHX2 4066/4885ALDH1A1 3932/4885L3MBTL1 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.