SCHEMBL5224082

SCHEMBL5224082

NC(=NO)c1cc(F)cc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.38
KDM1A O60341 8/20 0.36
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ASIC3 Q9UHC3 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
C1S P09871 1/20 0.31

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
SCHEMBL641872 0.85 CES2 (0.44) KDM1ARAB9AGAARECQLCES2
SCHEMBL641873 0.85 CES2 (0.44) KDM1ARAB9AGAARECQLCES2
SCHEMBL22043764 0.77 CTSL (0.34) CTSLASIC3
SCHEMBL17730453 0.76 GRIN2B (0.37) KDM1ARECQLCES2CES1
SCHEMBL16590402 0.76 PRSS1 (0.39) CTSLKDM1ARAB9ANPC1GAA
SCHEMBL26684353 0.76 CES2 (0.32) CTSLCES2CES1
SCHEMBL17730454 0.76 GRIN2B (0.37) KDM1ARECQLCES2CES1
SCHEMBL17737720 0.76 GRIN2B (0.37) KDM1ARECQLCES2CES1
SCHEMBL30667959 0.76 CES2 (0.32) CTSLCES2CES1
SCHEMBL31222695 0.75 PARP1 (0.50) CTSLRAB9ANPC1ASIC3RECQL

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-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-7074809-B2 Compounds ASTRAZENECA AB (SE) 2006-07-11 US disclosed
EP-1581525-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS AstraZeneca AB (SE) 2005-10-05 EP disclosed
US-20050154027-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists NPS PHARMACEUTICALS, INC. 2005-07-14 US disclosed
US-20040106607-A1 New compounds ASTRAZENECA AB AND NPS PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004014902-A2 COMPOUNDS HAVING AN ACTIVITY AT METABOTROPIC GLUTAMATE RECEPTORS ASTRAZENECA AB (SE) 2004-02-19 WO 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 (4 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 CTSL 4055/4885KDM1A 3949/4885RAB9A 1813/4885
US-20040106607-A1 New compounds MTX1, MLX, TPX2 CTSL 1358/4885KDM1A 3209/4885RAB9A 959/4885
US-20030055085-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 CTSL 4055/4885KDM1A 3949/4885RAB9A 1813/4885
US-20060189661-A1 Heteropolycyclic compounds and their use as metabotropic glutamate receptor antagonists GRM2, GRIN2A, GRM1 CTSL 4055/4885KDM1A 3949/4885RAB9A 1813/4885

“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.