SCHEMBL3583245

SCHEMBL3583245

CN(C(=O)OCc1ccc([N+](=O)[O-])cc1)C(N)=NC(=O)OCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 1/20 0.45
IDO1 P14902 2/20 0.44
HTT P42858 1/20 0.43
HTR2A P28223 1/20 0.43
MAOB P27338 1/20 0.41
MAPT P10636 3/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
AKR1C3 P42330 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL9878050 0.82 ALDH1A1 (0.45) ALDH1A1RAB9AIDO1HTTHTR2A
SCHEMBL19007840 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKMT2A
SCHEMBL9878438 0.81 RAB9A (0.42) ALDH1A1RAB9AIDO1HTTMAPT
SCHEMBL15618793 0.76 ALDH1A1 (0.55) ALDH1A1RAB9AIDO1HTTHTR2A
SCHEMBL11165854 0.76 IDO1 (0.57) ALDH1A1RAB9AIDO1HTTHTR2A
SCHEMBL8849145 0.75 IDO1 (0.56) ALDH1A1RAB9AIDO1HTTHTR2A
SCHEMBL8849150 0.75 IDO1 (0.56) ALDH1A1RAB9AIDO1HTTHTR2A
SCHEMBL13684200 0.75 ALDH1A1 (0.54) ALDH1A1RAB9AIDO1HTTHTR2A
SCHEMBL8447186 0.74 ALDH1A1 (0.37) ALDH1A1RAB9AIDO1SMN1; SMN2KMT2A
SCHEMBL11160866 0.74 RAB9A (0.46) ALDH1A1RAB9AIDO1MAPTNPC1

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
EP-2495245-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2012-09-05 EP disclosed
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION CHOI WOO-BAEG 2010-03-25 US disclosed
US-7632828-B2 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. (US) 2009-12-15 US disclosed
EP-1765821-A4 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS INC (US) 2009-05-20 EP disclosed
EP-1765821-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB Synthesis, Inc. (US) 2007-03-28 EP disclosed
US-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. 2006-04-06 US disclosed
WO-2005123069-A2 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION FOB SYNTHESIS, INC. (US) 2005-12-29 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 (2 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-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation MGAM, GSK3B, GSK3A ALDH1A1 3694/4885RAB9A 1806/4885IDO1 1133/4885
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A ALDH1A1 3694/4885RAB9A 1806/4885IDO1 1133/4885

“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.