SCHEMBL2217847

SCHEMBL2217847

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(Nc2ccc(Oc3ccccc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.47
GFER P55789 2/20 0.46
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
SPR P35270 1/20 0.45
GAA P10253 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
MGLL Q99685 2/20 0.44
LMNA P02545 2/20 0.44
FAAH O00519 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PDGFRB P09619 2/20 0.43
ALOX5 P09917 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
SCHEMBL2217845 1.00 LTA4H (0.47) LTA4HGFERRAB9AL3MBTL1SPR
SCHEMBL2219945 0.91 SPR (0.53) GFERRAB9AL3MBTL1SPRLMNA
SCHEMBL2219952 0.91 SPR (0.53) GFERRAB9AL3MBTL1SPRLMNA
SCHEMBL2216185 0.88 GFER (0.57) GFERRAB9AL3MBTL1GAAKMT2A
SCHEMBL2216188 0.88 GFER (0.57) GFERRAB9AL3MBTL1GAAKMT2A
SCHEMBL2222426 0.85 L3MBTL1 (0.50) GFERRAB9AL3MBTL1SPRGAA
SCHEMBL2222423 0.85 L3MBTL1 (0.50) GFERRAB9AL3MBTL1SPRGAA
SCHEMBL2217019 0.83 HPGD (0.48) GFERRAB9AL3MBTL1GAAMEN1
SCHEMBL2217013 0.83 HPGD (0.48) GFERRAB9AL3MBTL1GAAMEN1
SCHEMBL27965179 0.79 LTA4H (0.56) LTA4HRAB9ASPRLMNAFAAH

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 LTA4H 223/4885GFER 3519/4885RAB9A 1091/4885

“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.