SCHEMBL4428208

SCHEMBL4428208

CCc1nc2ccc(C(=O)O)cc2cc1C

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.67
RAB9A P51151 2/20 0.67
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
TDP1 Q9NUW8 2/20 0.50
GRM1 Q13255 4/20 0.46
HSP90AA1 P07900 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
FABP5 Q01469 1/20 0.42
PSMB5 P28074 1/20 0.41

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
SCHEMBL20836602 0.88 NPC1 (0.54) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL16621408 0.80 TDP1 (0.66) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL1133972 0.79 GRM1 (0.68) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL23757123 0.78 TDP1 (0.53) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL30024677 0.78 TDP1 (0.53) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL22672753 0.77 MEN1 (0.57) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL16620893 0.75 TDP1 (0.50) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL23757872 0.75 GRM1 (0.58) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL999160 0.75 TDP1 (0.58) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL30464299 0.75 TDP1 (0.58) NPC1RAB9AMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1642580-B Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA NV 2010-05-26 CN disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
US-7517517-B2 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-14 US disclosed
EP-1332133-B1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2008-07-09 EP disclosed
US-7115630-B2 Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2006-10-03 US disclosed
US-20060083676-A1 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTIA N.V. (BE) 2006-04-20 US disclosed
CN-1703403-A Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2005-11-30 CN disclosed
US-20050209273-A1 Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-22 US disclosed
CN-1642580-A Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands JANSSEN PHARMACEUTICA NV (BE) 2005-07-20 CN disclosed
EP-1492571-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2005-01-05 EP disclosed
US-20040082592-A1 Metabotropic glutamate receptor antagonists JANSSEN-CILAG SA (FR) 2004-04-29 US disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 WO disclosed
WO-2003082350-A2 RADIOLABELLED QUINOLINE AND QUINOLINONE DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS JANSSEN PHARMACEUTICA N.V. (BE) 2003-10-09 WO disclosed
EP-1332133-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2003-08-06 EP disclosed
WO-2002028837-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2002-04-11 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 (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-20040082592-A1 Metabotropic glutamate receptor antagonists GRM3, GRM1, GRIN3A NPC1 1760/4885RAB9A 4375/4885MEN1 3808/4885
US-20060083676-A1 Radiolabelled quinoline and quinolinone derivatives and their use as metabotropic glutamate receptor ligands GRM3, GRM1, GRM2 NPC1 2238/4885RAB9A 3337/4885MEN1 2520/4885
US-20050209273-A1 Metabotropic glutamate receptor antagonists GRM3, GRM1, GRIN3A NPC1 1628/4885RAB9A 4158/4885MEN1 3885/4885

“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.