SCHEMBL990334

SCHEMBL990334

O=C(O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.58
MEN1 O00255 1/20 0.51
RAB9A P51151 1/20 0.51
DHODH Q02127 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
MAPK1 P28482 1/20 0.50
CSNK2A1 P68400 5/20 0.49
CSNK2A2 P19784 4/20 0.49
HDAC3 O15379 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
CSNK2B P67870 3/20 0.48
P4HTM Q9NXG6 2/20 0.47
TDP1 Q9NUW8 1/20 0.45
MAPKAPK2 P49137 1/20 0.44
PIN1 Q13526 1/20 0.44

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
SCHEMBL3635781 0.89 HCAR3 (0.54) GRM5MEN1RAB9ADHODHKMT2A
SCHEMBL3635976 0.88 GRM5 (0.51) GRM5RAB9ASMN1; SMN2POLBMAPT
SCHEMBL4514060 0.87 GRM5 (0.57) GRM5MEN1RAB9ADHODHKMT2A
SCHEMBL3636750 0.87 SMARCA2 (0.47) GRM5MEN1KMT2ACSNK2A1CSNK2A2
SCHEMBL4514156 0.84 MAPT (0.70) GRM5MEN1RAB9ADHODHKMT2A
SCHEMBL4504976 0.84 GRM5 (0.53) GRM5MEN1RAB9ADHODHKMT2A
SCHEMBL3628259 0.83 GRM5 (0.67) GRM5
SCHEMBL4510521 0.82 GRM5 (0.53) GRM5POLBMAPTMAPK1HDAC3
SCHEMBL4518711 0.81 GRM5 (0.48) GRM5POLBMAPTMAPK1HDAC3
SCHEMBL992711 0.79 GRM5 (0.76) GRM5MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2014-07-03 US disclosed
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GLATTHAR RALF (DE) 2012-12-06 US disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
CN-101679299-A Nicotinic acid derivatives as modulators of metabotropic glutamate receptor-5 NOVARTIS AG 2010-03-24 CN disclosed
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS RALF GLATTHAR 2010-02-18 US disclosed
EP-2146969-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Novartis Ag (CH) 2010-01-27 EP disclosed
CN-101535265-A Nicotinic acid derivatives as metabotropic glutamate receptor modulators NOVARTIS AG (CH) 2009-09-16 CN disclosed
EP-2069305-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2009-06-17 EP disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
US-20090105266-A1 Organic compounds NOVARTIS AG (CH) 2009-04-23 US disclosed
US-20090005363-A1 Organic Compounds NOVARTIS AG (CH) 2009-01-01 US disclosed
CN-101321731-A Nicotinic acid derivatives as metabotropic glutamate receptor modulators NOVARTIS AG (CH) 2008-12-10 CN disclosed
WO-2008128968-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 NOVARTIS AG (CH) 2008-10-30 WO disclosed
EP-1966144-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Novartis AG (CH) 2008-09-10 EP disclosed
WO-2008031550-A2 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTANATE RECEPTORS NOVARTIS AG (CH) 2008-03-20 WO disclosed
WO-2007071358-A1 NICOTINIC ACID DERIVATIVES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS NOVARTIS AG (CH) 2007-06-28 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-20090105266-A1 Organic compounds SLCO2B1, SLCO1B1, SLCO1B3 GRM5 4545/4885MEN1 2460/4885RAB9A 3471/4885
US-20100041641-A1 USES OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM2, GRM1 GRM5 1/4885MEN1 4664/4885RAB9A 1915/4885
US-20120309742-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885MEN1 4674/4885RAB9A 2008/4885
US-20090005363-A1 Organic Compounds NNT, NAPRT, CHRNA5 GRM5 680/4885MEN1 2366/4885RAB9A 2718/4885
US-20140187600-A1 USE OF METABOTROPIC GLUTAMATE RECEPTORS GRM5, GRM1, GRM2 GRM5 1/4885MEN1 4674/4885RAB9A 2008/4885

“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.