SCHEMBL2219952

SCHEMBL2219952

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(Nc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.53
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALOX5 P09917 2/20 0.49
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
TP53 P04637 1/20 0.45
RHOA P61586 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
GFER P55789 1/20 0.43

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
SCHEMBL2219945 1.00 SPR (0.53) SPRLMNAL3MBTL1ALOX5NPC1
SCHEMBL2217845 0.91 LTA4H (0.47) SPRLMNAL3MBTL1ALOX5ALDH1A1
SCHEMBL2217847 0.91 LTA4H (0.47) SPRLMNAL3MBTL1ALOX5ALDH1A1
SCHEMBL2222426 0.90 L3MBTL1 (0.50) SPRLMNAL3MBTL1NPC1ALDH1A1
SCHEMBL2222423 0.90 L3MBTL1 (0.50) SPRLMNAL3MBTL1NPC1ALDH1A1
SCHEMBL2216185 0.86 GFER (0.57) L3MBTL1ALOX5NPC1ALDH1A1RAB9A
SCHEMBL2216188 0.86 GFER (0.57) L3MBTL1ALOX5NPC1ALDH1A1RAB9A
SCHEMBL2218489 0.84 KDM5A (0.54) LMNAL3MBTL1NPC1ALDH1A1RAB9A
SCHEMBL2218486 0.84 KDM5A (0.54) LMNAL3MBTL1NPC1ALDH1A1RAB9A
SCHEMBL2218474 0.83 BCHE (0.57) LMNAL3MBTL1NPC1ALDH1A1RAB9A

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 SPR 1271/4885LMNA 4132/4885L3MBTL1 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.