SCHEMBL2107620

SCHEMBL2107620

Cc1noc(N)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
MAPT P10636 9/20 0.41
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
SMN1; SMN2 Q16637 6/20 0.39
ALDH1A1 P00352 4/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
BRD4 O60885 1/20 0.36
TDO2 P48775 1/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
PABPC1 P11940 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
USP2 O75604 1/20 0.36
KEAP1 Q14145 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
SCHEMBL1328626 0.78 KMT2A (0.46) PKMMAPTKMT2AMEN1NPC1
SCHEMBL27966691 0.77 KMT2A (0.45) PKMMAPTKMT2AMEN1NPC1
SCHEMBL8249522 0.76 BRD4 (0.34) BRD4TDO2
SCHEMBL6612124 0.72 MAPT (0.39) PKMMAPTKMT2AMEN1NPC1
SCHEMBL18625799 0.71 MAPT (0.51) PKMMAPTKMT2AMEN1NPC1
SCHEMBL14977571 0.69 MAPT (0.57) PKMMAPTKMT2AMEN1NPC1
SCHEMBL14986063 0.69 MAPT (0.57) PKMMAPTKMT2AMEN1NPC1
SCHEMBL14977572 0.69 MAPT (0.57) PKMMAPTKMT2AMEN1NPC1
SCHEMBL31092506 0.67 SMN1; SMN2 (0.44) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14976767 0.66 MAPT (0.53) PKMMAPTKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015511-A1 OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS CARNEGIE MELLON UNIVERSITY (US) 2022-06-22 EP disclosed
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 EP disclosed
EP-1896395-B1 MODIFIED MALONATE DERIVATIVES MERCK SHARP & DOHME (US) 2015-07-15 EP disclosed
EP-2453496-A1 ORGANIC ELECTROLUMINESCENT ELEMENT, NOVEL COMPOUND, LIGHTING DEVICE AND DISPLAY DEVICE Konica Minolta Holdings, Inc. (JP) 2012-05-16 EP disclosed
US-8158825-B2 Modified malonate derivatives MERCK SHARP & DOHME CORP. (US) 2012-04-17 US disclosed
US-20100160327-A1 Modified Malonate Derivatives MERCK SHARP & DOHME LLC 2010-06-24 US disclosed
EP-1896395-A2 MODIFIED MALONATE DERIVATIVES Merck & Co., Inc. (US) 2008-03-12 EP disclosed
US-7235559-B1 Therapeutic quinazoline derivatives ASTRAZENECA AB (SE) 2007-06-26 US disclosed
WO-2007002248-A2 MODIFIED MALONATE DERIVATIVES MERCK & CO., INC. (US) 2007-01-04 WO disclosed
US-6673824-B1 HYPOTENSIVE AGENTS BRISTOL-MYERS SQUIBB CO. 2004-01-06 US disclosed
EP-1218355-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES AstraZeneca AB (SE) 2002-07-03 EP disclosed
CN-1066441-C Phenyl sulfonamide endothelin antagonists SQUIBB & SONS INC (US) 2001-05-30 CN disclosed
WO-2001021597-A1 THERAPEUTIC QUINAZOLINE DERIVATIVES ASTRAZENECA AB (SE) 2001-03-29 WO disclosed
US-6107320-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 2000-08-22 US disclosed
CN-1230903-A Long-lived homogenous oxidation catalyst UNIV CARNEGIE MELLON (US) 1999-10-06 CN disclosed
EP-0569193-B1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists SQUIBB & SONS INC (US) 1997-02-26 EP disclosed
US-5514696-A Phenyl sulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB CO. (US) 1996-05-07 US disclosed
CN-1084515-A Phenyl sulfamoyl endothelium (endothelin) antagonistic SQUIBB & SONS INC (US) 1994-03-30 CN disclosed
EP-0569193-A1 N-isoxazole-phenylsulfonamide derivatives and their use as endothelin antagonists E.R. SQUIBB & SONS, INC. (US) 1993-11-10 EP disclosed
EP-0002881-A1 5-Isoxazolylurea derivatives, their preparation, their use and compositions containing them FISONS plc (GB) 1979-07-11 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 (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-20100160327-A1 Modified Malonate Derivatives ME2, ME3, ME1 PKM 2540/4885MAPT 1502/4885KMT2A 132/4885

“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.