SCHEMBL2216749

SCHEMBL2216749

O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(Oc2ccc(F)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.51
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ADRB2 P07550 1/20 0.46
PRKAA2 P54646 1/20 0.45
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LIPG Q9Y5X9 2/20 0.41
LIPC P11150 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
SCHEMBL2216745 1.00 HSD11B1 (0.51) HSD11B1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL15693736 0.90 ALDH1A1 (0.47) HSD11B1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL13539591 0.90 ALDH1A1 (0.47) HSD11B1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2219137 0.89 SRD5A1 (0.47) HSD11B1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2219131 0.89 SRD5A1 (0.47) HSD11B1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2217633 0.89 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL2217629 0.89 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL2219414 0.89 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1MAPT
SCHEMBL2217275 0.88 HSD11B1 (0.44) HSD11B1ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2217271 0.88 HSD11B1 (0.44) HSD11B1ALDH1A1NPC1RAB9AL3MBTL1

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

“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.