SCHEMBL2216185

SCHEMBL2216185

COc1ccc(N[C@@H]2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GFER P55789 6/20 0.57
GAA P10253 2/20 0.55
ALOX5 P09917 1/20 0.54
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL2216188 1.00 GFER (0.57) GFERGAAALOX5ALDH1A1L3MBTL1
SCHEMBL2217847 0.88 LTA4H (0.47) GFERGAAALOX5ALDH1A1L3MBTL1
SCHEMBL2217845 0.88 LTA4H (0.47) GFERGAAALOX5ALDH1A1L3MBTL1
SCHEMBL2217013 0.87 HPGD (0.48) GFERGAAALDH1A1L3MBTL1NPC1
SCHEMBL2217019 0.87 HPGD (0.48) GFERGAAALDH1A1L3MBTL1NPC1
SCHEMBL2222426 0.87 L3MBTL1 (0.50) GFERGAAALDH1A1L3MBTL1NPC1
SCHEMBL2222423 0.87 L3MBTL1 (0.50) GFERGAAALDH1A1L3MBTL1NPC1
SCHEMBL2218649 0.87 KDM5A (0.57) ALOX5ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL2218650 0.87 KDM5A (0.57) ALOX5ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL2219952 0.86 SPR (0.53) GFERALOX5ALDH1A1L3MBTL1NPC1

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
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

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 GFER 3519/4885GAA 949/4885ALOX5 2085/4885

“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.