SCHEMBL2176401

SCHEMBL2176401

CCOC(=O)[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
MAPK1 P28482 3/20 0.49
TDP1 Q9NUW8 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HCAR3 P49019 5/20 0.49
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.47
KCNMA1 Q12791 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46
CRHBP P24387 1/20 0.46
RAB9A P51151 1/20 0.46
CRHR2 Q13324 1/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL2610870 1.00 MAPT (0.49) MAPTMAPK1TDP1SMN1; SMN2HCAR3
SCHEMBL8135626 0.79 ALDH1A1 (0.58) MAPTMAPK1TDP1ALDH1A1KMT2A
SCHEMBL8196433 0.79 LMNA (0.72) MAPTMAPK1TDP1HCAR3ALDH1A1
SCHEMBL10839973 0.79 KCNMA1 (0.54) MAPTMAPK1TDP1SMN1; SMN2ALDH1A1
SCHEMBL9374023 0.79 MAPT (0.46) MAPTMAPK1TDP1SMN1; SMN2HCAR3
SCHEMBL2132913 0.78 ALDH1A1 (0.41) MAPTMAPK1TDP1SMN1; SMN2HCAR3
SCHEMBL31424609 0.78 KMT2A (0.67) MAPTHCAR3ALDH1A1KMT2ANPC1
SCHEMBL4867742 0.78 HCAR3 (0.55) MAPTMAPK1TDP1HCAR3ALDH1A1
SCHEMBL4869513 0.78 HCAR3 (0.55) MAPTMAPK1TDP1HCAR3ALDH1A1
SCHEMBL4869504 0.78 HCAR3 (0.55) MAPTMAPK1TDP1HCAR3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342191-B1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORP (JP) 2013-03-20 EP disclosed
EP-2342191-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE Mitsubishi Tanabe Pharma Corporation (JP) 2011-07-13 EP disclosed
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO disclosed
CN-1789246-A Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMA INC (US) 2006-06-21 CN disclosed
US-7053104-B2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2006-05-30 US disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
EP-1196397-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMA INC (US) 2005-08-17 EP disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 US disclosed
CN-1361768-A Metabotropic glutamate receptor antagonists and their use for treating central nervous system disorders NPS PHARMA INC (US) 2002-07-31 CN disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 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 (2 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-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 MAPT 471/4885MAPK1 1906/4885TDP1 2758/4885
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B MAPT 4095/4885MAPK1 1211/4885TDP1 998/4885

“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.