SCHEMBL5225625

SCHEMBL5225625

CC(C)(C)OC(=O)c1ccc(C(N)=NO)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TNF P01375 1/20 0.40
KLF5 Q13887 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GABRA1 P14867 5/20 0.38
GABRG2 P18507 5/20 0.38
GABRB3 P28472 5/20 0.38
GABRA3 P34903 5/20 0.38
GABRA2 P47869 5/20 0.38
GABRA5 P31644 4/20 0.38
GABRA4 P48169 3/20 0.38
GABRA6 Q16445 3/20 0.38

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
SCHEMBL30614566 0.84 MAPK1 (0.68) MAPK1KDM4EL3MBTL1CA12CA1
SCHEMBL17668766 0.80 MAPK1 (0.68) MAPK1KDM4EL3MBTL1P4HA1MIF
SCHEMBL27476383 0.79 MAPK1 (0.75) MAPK1KDM4EL3MBTL1CA12CA1
SCHEMBL13026731 0.78 MAPK1 (0.50) MAPK1KDM4EL3MBTL1CA12CA1
SCHEMBL7279161 0.77 P4HTM (0.63) MAPK1KDM4EL3MBTL1GABRA1GABRG2
SCHEMBL20944398 0.77 P4HTM (0.63) MAPK1KDM4EL3MBTL1GABRA1GABRG2
SCHEMBL14993227 0.77 P4HTM (0.63) MAPK1KDM4EL3MBTL1GABRA1GABRG2
SCHEMBL2679707 0.76 MAPK1 (0.75) MAPK1KDM4EL3MBTL1CA12CA1
SCHEMBL30457965 0.76 MAPK1 (0.75) MAPK1KDM4EL3MBTL1CA12CA1
SCHEMBL4778427 0.75 MAPK1 (0.51) MAPK1KDM4EL3MBTL1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1379525-B1 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMA INC (US) 2007-10-10 EP disclosed
US-7112595-B2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-09-26 US disclosed
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2006-08-24 US disclosed
EP-1679313-A2 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. (US) 2006-07-12 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
EP-1379525-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2004-01-14 EP disclosed
US-6660753-B2 For therapy of stroke, head trauma, anoxic injury, ischemic injury, hypoglycemia, epilepsy, pain, migraine headaches, Parkinson's disease, senile dementia, Huntington's Chorea, anxiety, and Alzheimer's disease NPS PHARMACEUTICALS, INC. 2003-12-09 US disclosed
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2003-03-20 US disclosed
WO-2002068417-A3 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS SLASSI ABDELMALIK (CA) 2002-11-14 WO disclosed
WO-2002068417-A2 HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS NPS PHARMACEUTICALS, INC. (US) 2002-09-06 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 (3 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-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MAPK1 3109/4885KDM4E 3972/4885L3MBTL1 4123/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MAPK1 3109/4885KDM4E 3972/4885L3MBTL1 4123/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 MAPK1 3109/4885KDM4E 3972/4885L3MBTL1 4123/4885

“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.