SCHEMBL3591287

SCHEMBL3591287

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 2/20 0.42
HTR2A P28223 1/20 0.42
RAB9A P51151 1/20 0.42
GAA P10253 1/20 0.42
MAOB P27338 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
SCHEMBL3591284 1.00 L3MBTL1 (0.44) L3MBTL1ALDH1A1MAPK1MAPTHTT
SCHEMBL10508043 0.84 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPK1MAPTHTT
SCHEMBL7384656 0.84 ALDH1A1 (0.48) L3MBTL1ALDH1A1MAPK1MAPTHTT
SCHEMBL858791 0.82 ALDH1A1 (0.49) ALDH1A1HTTRAB9A
SCHEMBL13533438 0.82 ALDH1A1 (0.49) ALDH1A1HTTRAB9A
SCHEMBL858792 0.82 ALDH1A1 (0.49) ALDH1A1HTTRAB9A
SCHEMBL9878441 0.79 HTT (0.43) L3MBTL1ALDH1A1MAPTHTTRAB9A
SCHEMBL2299037 0.77 AKR1C3 (0.51) L3MBTL1ALDH1A1MAPK1MAPTHTT
SCHEMBL7761445 0.77 RAB9A (0.46) L3MBTL1ALDH1A1MAPTHTTRAB9A
SCHEMBL7754976 0.77 RAB9A (0.46) L3MBTL1ALDH1A1MAPTHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9937151-B2 Carbapenem antibacterials with gram-negative activity FOB SYNTHESIS, INC. (US) 2018-04-10 US disclosed
EP-2590978-B1 CARBAPENEM ANTIBACTERIALS WITH GRAM-NEGATIVE ACTIVITY FOB SYNTHESIS INC (US) 2017-09-20 EP disclosed
US-20150306071-A1 Carbapenem Antibacterials with Gram-Negative Activity CHOI, WOO-BAEG, DR. 2015-10-29 US disclosed
US-9149461-B2 Carbapenem antibacterials with gram-negative activity FOB SYNTHESIS, INC. (US) 2015-10-06 US disclosed
US-20130172313-A1 Carbapenem Antibacterials with Gram-Negative Activity FOB SYNTHESIS, INC. (US) 2013-07-04 US disclosed
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
US-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation FOB SYNTHESIS, INC. 2006-04-06 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 (4 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-20130172313-A1 Carbapenem Antibacterials with Gram-Negative Activity MGAM, GSK3B, GSK3A L3MBTL1 1908/4885ALDH1A1 3898/4885MAPK1 1895/4885
US-20150306071-A1 Carbapenem Antibacterials with Gram-Negative Activity MGAM, GSK3B, GSK3A L3MBTL1 1908/4885ALDH1A1 3898/4885MAPK1 1895/4885
US-20060074070-A1 Gram-positive carbapenem antibacterials and processes for their preparation MGAM, GSK3B, GSK3A L3MBTL1 2298/4885ALDH1A1 3694/4885MAPK1 1289/4885
US-20100075945-A1 GRAM-POSITIVE CARBAPENEM ANTIBACTERIALS AND PROCESSES FOR THEIR PREPARATION MGAM, GSK3B, GSK3A L3MBTL1 2298/4885ALDH1A1 3694/4885MAPK1 1289/4885

“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.