SCHEMBL2219137

SCHEMBL2219137

O=C(O)c1ccc(OC2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 2/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 2/20 0.43
POLB P06746 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 1/20 0.42
CYP2J2 P51589 1/20 0.42
HTT P42858 1/20 0.42
MTHFD1 P11586 1/20 0.42
MTHFD2 P13995 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
MGLL Q99685 1/20 0.41
HSD11B1 P28845 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 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
SCHEMBL2219131 1.00 SRD5A1 (0.47) SRD5A1SRD5A2ALDH1A1NPC1RAB9A
SCHEMBL15672967 0.93 SRD5A1 (0.52) SRD5A1SRD5A2ALDH1A1NPC1RAB9A
SCHEMBL13539591 0.90 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AL3MBTL1POLB
SCHEMBL15693736 0.90 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AL3MBTL1POLB
SCHEMBL2216749 0.89 HSD11B1 (0.51) ALDH1A1NPC1RAB9AL3MBTL1HTT
SCHEMBL2217633 0.89 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1POLB
SCHEMBL2219414 0.89 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1POLB
SCHEMBL2216745 0.89 HSD11B1 (0.51) ALDH1A1NPC1RAB9AL3MBTL1HTT
SCHEMBL2217629 0.89 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1POLB
SCHEMBL2220385 0.88 HTT (0.52) ALDH1A1NPC1RAB9AL3MBTL1POLB

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 SRD5A1 3994/4885SRD5A2 4097/4885ALDH1A1 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.