SCHEMBL4058834

SCHEMBL4058834

Cc1nc([N+](=O)[O-])cn1CCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
PKM P14618 2/20 0.56
KMT2A Q03164 2/20 0.53
SOS1 Q07889 1/20 0.51
POLB P06746 2/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
MITF O75030 1/20 0.47
ESR1 P03372 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28290789 0.84 ALDH1A1 (0.57) ALDH1A1PKMKMT2ASOS1POLB
SCHEMBL28290761 0.83 MITF (0.62) ALDH1A1PKMKMT2ASOS1POLB
SCHEMBL3504600 0.83 ALDH1A1 (0.68) ALDH1A1PKMKMT2ASOS1POLB
SCHEMBL28334488 0.83 ALDH1A1 (0.68) ALDH1A1PKMKMT2ASOS1POLB
SCHEMBL29170726 0.81 ALDH1A1 (0.66) ALDH1A1PKMKMT2ASOS1POLB
SCHEMBL28290787 0.81 ALDH1A1 (0.54) ALDH1A1PKMKMT2ASOS1POLB
SCHEMBL13431485 0.81 ALDH1A1 (0.75) ALDH1A1PKMKMT2ASOS1POLB
SCHEMBL10825501 0.80 ALDH1A1 (0.68) ALDH1A1PKMKMT2ASOS1POLB
SCHEMBL14181603 0.80 ALDH1A1 (0.73) ALDH1A1PKMKMT2ASOS1POLB
SCHEMBL28290784 0.78 ALDH1A1 (0.53) ALDH1A1PKMKMT2ASOS1POLB

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1310510-B1 Topologically segregated, encoded solid phase libraries AVENTIS PHARMA INC (US) 2007-07-11 EP claimed
EP-0705279-B1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORP (US) 2003-02-19 EP claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
CN-109706198-A A kind of method that online enzyme process closes nitro imidazole derivatives 浙江工业大学 2019-05-03 CN disclosed
EP-1727540-A4 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE UNIV CALIFORNIA (US) 2009-07-22 EP disclosed
EP-1310510-B1 Topologically segregated, encoded solid phase libraries AVENTIS PHARMA INC (US) 2007-07-11 EP disclosed
EP-1727540-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE The Regents Of the University of California (US) 2006-12-06 EP disclosed
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed
WO-2005094817-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-10-13 WO disclosed
US-6828427-B1 Oligomeric aminodiol-containing compounds, libraries thereof, and process of preparing the same ISIS PHARMACEUTICALS, INC. 2004-12-07 US disclosed
US-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-08 US disclosed
EP-0705279-B1 TOPOLOGICALLY SEGREGATED, ENCODED SOLID PHASE LIBRARIES SELECTIDE CORP (US) 2003-02-19 EP disclosed
US-6372883-B1 FOR THERAPY AND PROPHYLAXIS OF INFECTIONS CAUSED BY HEPATITIS C, HEPATITIS G AND HUMAN GB VIRUSES HOFFMANN-LA ROCHE INC. 2002-04-16 US disclosed
US-6359144-B1 BIOSYNTHESIS; SCREENING LION BIOSCIENCE AG (DE) 2002-03-19 US disclosed
US-6316626-B1 Amine compounds and combinatorial libraries comprising same ISIS PHARMACEUTICALS, INC. 2001-11-13 US disclosed
US-6251854-B1 COMPRISING AN OLIGOPETIDE INCLUDING A GUANIDINIUM-CONTAINING AMINO ACID SUCH AS ARGININE, AND A COMPOUND SUCH AS 2H-3-(4-FLUOROBENZYL)-7-(BUT-2-YL)-8-(3-METHYLBUTYL)-DIAZOLIDINE(1,2 -B)DIHYDROIMIDAZOLE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2001-06-26 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US disclosed
US-5780653-A Nitrophenyl, 10-deacetylated substituted taxol derivatives as dual functional cytotoxic/radiosensitizers VIVORX PHARMACEUTICALS, INC. (US) 1998-07-14 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-20040132752-A1 Substituted diaryl heterocycles, process for their preparation and their use as medicaments GPR119, GLP1R, SLC5A2 ALDH1A1 1096/4885PKM 1528/4885KMT2A 1148/4885

“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.