SCHEMBL102957

SCHEMBL102957

CNc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
MAPK1 P28482 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PKM P14618 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TDP1 Q9NUW8 4/20 0.48
HPGD P15428 1/20 0.46
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GPR35 Q9HC97 1/20 0.44
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.42
VCAM1 P19320 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL2524312 0.86 TDP1 (0.58) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL8989535 0.83 HPGD (0.51) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL7289828 0.81 ALDH1A1 (0.46) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1346324 0.81 MAPT (0.46) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL6534868 0.80 KMT2A (0.61) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4151648 0.79 TSHR (0.60) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL3631214 0.78 MAPT (0.60) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4725240 0.78 TDP1 (0.48) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4725194 0.78 TDP1 (0.48) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL29483006 0.78 TDP1 (0.48) MAPTALDH1A1MAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170224665-A1 SELECTIVE HIGH AFFINITY ALFA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS Astraea Therapeutics (US) 2017-08-10 US disclosed
US-8883826-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-11-11 US disclosed
US-8674106-B2 Alkynyl derivatives as modulators of metabotropic glutamate receptors ADDEX PHARMA SA (CH) 2014-03-18 US disclosed
US-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2013-07-11 US disclosed
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2012-11-01 US disclosed
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed
US-8101637-B2 Alkynyl derivatives as modulators of metatropic glutamate receptors ADDEX PHARMA SA (CH) 2012-01-24 US disclosed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 US disclosed
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2009-05-14 US disclosed
EP-1765795-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2007-03-28 EP disclosed
WO-2005123703-A2 ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-12-29 WO disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 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 (5 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-20130178631-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 MAPT 1113/4885ALDH1A1 2153/4885MAPK1 1416/4885
US-20090124625-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METATROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 MAPT 630/4885ALDH1A1 2496/4885MAPK1 1758/4885
US-20120277237-A1 NOVEL ALKYNYL DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 MAPT 1113/4885ALDH1A1 2153/4885MAPK1 1416/4885
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 MAPT 3505/4885ALDH1A1 1006/4885MAPK1 1819/4885
US-20170224665-A1 SELECTIVE HIGH AFFINITY ALFA3BETA4 NICOTINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRNA3, CHRNA4, CHRNB3 MAPT 3162/4885ALDH1A1 418/4885MAPK1 3424/4885

“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.