SCHEMBL503425

SCHEMBL503425

COC(=O)[C@H](Cc1cncn1Cc1ccc([N+](=O)[O-])c(C)c1)NC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.46
GSTM2 P28161 1/20 0.46
KLK5 Q9Y337 1/20 0.38
CYP11B1 P15538 4/20 0.38
CYP11B2 P19099 4/20 0.38
BCL2 P10415 3/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
ACE P12821 4/20 0.36
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
PGGT1B P53609 1/20 0.36
ACE2 Q9BYF1 4/20 0.36
MCL1 Q07820 1/20 0.36

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
SCHEMBL9837838 0.93 GSTP1 (0.44) GSTP1GSTM2KLK5CYP11B1CYP11B2
SCHEMBL9837834 0.93 GSTP1 (0.44) GSTP1GSTM2KLK5CYP11B1CYP11B2
Histidine SCHEMBL18301538 0.88 GSTP1 (0.37) GSTP1GSTM2KLK5BCL2PPARG
Histidine SCHEMBL18301539 0.88 GSTP1 (0.37) GSTP1GSTM2KLK5BCL2PPARG
SCHEMBL9837440 0.87 ITGA4 (0.42) KLK5CYP11B1CYP11B2ACEFNTA
SCHEMBL9837445 0.87 ITGA4 (0.42) KLK5CYP11B1CYP11B2ACEFNTA
SCHEMBL28058939 0.83 ALDH1A1 (0.48) CYP11B1CYP11B2ACEFNTAFNTB
SCHEMBL16245923 0.83 ALDH1A1 (0.48) CYP11B1CYP11B2ACEFNTAFNTB
SCHEMBL8254417 0.82 CYP11B1 (0.53) KLK5CYP11B1CYP11B2PPARGPPARA
SCHEMBL16967378 0.76 ACE2 (0.41) ACEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME NEW YORK UNIVERSITY (US) 2026-01-01 US disclosed
US-12371461-B2 Nemo coiled coil mimics and methods of using same NEW YORK UNIVERSITY (US) 2025-07-29 US disclosed
EP-3303367-B1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2025-06-18 EP disclosed
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME UNIV NEW YORK (US) 2024-06-13 US disclosed
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME NEW YORK UNIVERSITY 2024-04-18 US disclosed
US-11891422-B2 NEMO coiled coil mimics and methods of using same NEW YORK UNIVERSITY (US) 2024-02-06 US disclosed
US-20220289802-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME CORNELL UNIVERSITY 2022-09-15 US disclosed
US-11440938-B2 Stabilized minimal coiled-coil mimetics NEW YORK UNIVERSITY (US) 2022-09-13 US disclosed
US-20210277059-A1 STABILIZED MINIMAL COILED-COIL MIMETICS UNIV NEW YORK (US) 2021-09-09 US disclosed
US-10851133-B2 Stabilized minimal coiled-coil mimetics NEW YORK UNIVERSITY (US) 2020-12-01 US disclosed
US-20200190155-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME NEW YORK UNIVERSITY 2020-06-18 US disclosed
US-20180162907-A1 STABILIZED MINIMAL COILED-COIL MIMETICS NEW YORK UNIVERSITY 2018-06-14 US disclosed
US-8445678-B2 2-quinoxalinol salen compounds and uses thereof AUBURN UNIVERSITY (US) 2013-05-21 US disclosed
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF AUBURN UNIVERSITY (US) 2012-02-02 US disclosed
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 US disclosed
EP-0589665-B1 4,5,6,7-Tetrahydro-1H-imidazo 4,5-c pyridine-6-carboxylic acid amide derivatives as angiotensine II antagonistes KUREHA CHEMICAL IND CO LTD (JP) 1999-11-17 EP disclosed
US-5401736-A Angiotensis II antagonists KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-03-28 US disclosed
EP-0589665-A2 4,5,6,7-Tetrahydro-1H-imidazo 4,5-c pyridine-6-carboxylic acid amide derivatives as angiotensine II antagonistes KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1994-03-30 EP 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 (13 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-12371461-B2 Nemo coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH GSTP1 3126/4885GSTM2 1035/4885KLK5 4119/4885
US-11440938-B2 Stabilized minimal coiled-coil mimetics COIL, CALCOCO2, SMC2 GSTP1 4598/4885GSTM2 3095/4885KLK5 3142/4885
US-10851133-B2 Stabilized minimal coiled-coil mimetics COIL, CALCOCO2, CRYZ GSTP1 4358/4885GSTM2 2319/4885KLK5 3070/4885
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof NQO1, NQO2, SQOR GSTP1 668/4885GSTM2 331/4885KLK5 1806/4885
US-20210277059-A1 STABILIZED MINIMAL COILED-COIL MIMETICS COIL, CALCOCO2, CRYZ GSTP1 4358/4885GSTM2 2319/4885KLK5 3070/4885
US-20120028362-A1 2-QUINOXALINOL SALEN COMPOUNDS AND USES THEREOF NQO1, NQO2, SQOR GSTP1 668/4885GSTM2 331/4885KLK5 1806/4885
US-20240124539-A1 CROSSLINKED HELIX DIMER MIMICS OF SOS AND METHODS OF USING SAME SOS2, SOS1, F2 GSTP1 1682/4885GSTM2 270/4885KLK5 4551/4885
US-20260001924-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME DDX21, PHAX, RBX1 GSTP1 2489/4885GSTM2 1067/4885KLK5 4878/4885
US-11891422-B2 NEMO coiled coil mimics and methods of using same COIL, CALCOCO2, NCAPH GSTP1 3126/4885GSTM2 1035/4885KLK5 4119/4885
US-20220289802-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH GSTP1 3126/4885GSTM2 1035/4885KLK5 4119/4885
US-20200190155-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH GSTP1 3126/4885GSTM2 1035/4885KLK5 4119/4885
US-20180162907-A1 STABILIZED MINIMAL COILED-COIL MIMETICS COIL, CALCOCO2, CRYZ GSTP1 4358/4885GSTM2 2319/4885KLK5 3070/4885
US-20240190930-A1 NEMO COILED COIL MIMICS AND METHODS OF USING SAME COIL, CALCOCO2, NCAPH GSTP1 3229/4885GSTM2 1169/4885KLK5 4166/4885

“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.