SCHEMBL2217271

SCHEMBL2217271

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H](Oc2ccc(OC(F)(F)F)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 4/20 0.43
MGLL Q99685 2/20 0.43
FAAH O00519 1/20 0.42
PDE4B Q07343 1/20 0.40
PDE4D Q08499 1/20 0.40
POLB P06746 1/20 0.40
ACACB O00763 1/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL2217275 1.00 HSD11B1 (0.44) HSD11B1NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL2216749 0.88 HSD11B1 (0.51) HSD11B1NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL2216745 0.88 HSD11B1 (0.51) HSD11B1NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL15693736 0.87 ALDH1A1 (0.47) HSD11B1NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL13539591 0.87 ALDH1A1 (0.47) HSD11B1NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL2219414 0.86 ALDH1A1 (0.49) NPC1ALDH1A1RAB9AL3MBTL1POLB
SCHEMBL2219131 0.86 SRD5A1 (0.47) HSD11B1NPC1ALDH1A1RAB9AL3MBTL1
SCHEMBL2217633 0.86 ALDH1A1 (0.49) NPC1ALDH1A1RAB9AL3MBTL1POLB
SCHEMBL2217629 0.86 ALDH1A1 (0.49) NPC1ALDH1A1RAB9AL3MBTL1POLB
SCHEMBL2219137 0.86 SRD5A1 (0.47) HSD11B1NPC1ALDH1A1RAB9AL3MBTL1

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
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
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 HSD11B1 3190/4885NPC1 402/4885ALDH1A1 3932/4885

“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.