SCHEMBL2363487

SCHEMBL2363487

O=C(O[N+]1(O)C(=O)CCC1=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
GAA P10253 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
CTSD P07339 1/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL7599153 0.88 GPR35 (0.42) ALDH1A1NPC1RAB9AGAANFKB1
SCHEMBL2362643 0.76 SMN1; SMN2 (0.46) ALDH1A1NPC1RAB9AGAANFKB1
SCHEMBL2363364 0.76 CES2 (0.44) ALDH1A1NPC1GAAKMT2AMEN1
SCHEMBL6551442 0.74 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AGAANFKB1
SCHEMBL2289848 0.74 ALDH1A1 (0.61) ALDH1A1NPC1RAB9AGAANFKB1
SCHEMBL1078138 0.74 KMT2A (0.35) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL9244299 0.74 AKR1C3 (0.47) ALDH1A1GAASMN1; SMN2TDP1L3MBTL1
SCHEMBL9332168 0.73 THRB (0.45) ALDH1A1KMT2AKDM4EGLAMEN1
SCHEMBL827585 0.73 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AGAANFKB1
SCHEMBL617411 0.72 KMT2A (0.48) ALDH1A1NPC1RAB9AKMT2ACTSD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 US disclosed
EP-1960518-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-08-27 EP disclosed
WO-2007067559-A2 ANTIBACTERIAL AGENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2007-06-14 WO 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 ALDH1A1 1972/4885NPC1 1199/4885RAB9A 602/4885

“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.