SCHEMBL2529634

SCHEMBL2529634

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc[nH]1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.62
RAB9A P51151 5/20 0.62
KDM4E B2RXH2 1/20 0.57
MEN1 O00255 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
KMT2A Q03164 1/20 0.57
TMIGD3 P0DMS9 1/20 0.56
ADORA1 P30542 1/20 0.56
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
MAPK1 P28482 1/20 0.55
EPHX1 P07099 1/20 0.54
EPHX2 P34913 1/20 0.54
GRM4 Q14833 1/20 0.54
KCNMA1 Q12791 1/20 0.54
MAOB P27338 2/20 0.53
MAOA P21397 1/20 0.53
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52

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
SCHEMBL2529545 0.81 NPC1 (0.63) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL10069467 0.79 KCNK3 (0.68) MEN1MAPTPKMKMT2A
SCHEMBL12764088 0.78 FKBP5 (0.60) NPC1RAB9AMEN1MAPTPKM
SCHEMBL4254257 0.77 NPC1 (1.00) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL29368677 0.77 NPC1 (0.60) NPC1RAB9AKMT2ATMIGD3ADORA1
SCHEMBL30369807 0.77 NPC1 (1.00) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL4954697 0.76 NPC1 (0.59) NPC1RAB9AMEN1KMT2ATMIGD3
SCHEMBL11608134 0.76 NPC1 (0.59) NPC1RAB9AKDM4EMEN1MAPT
SCHEMBL12764147 0.76 KCNMA1 (0.55) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL16692690 0.76 NPC1 (0.58) NPC1RAB9AKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 US claimed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 US claimed
EP-2181091-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2010-05-05 EP claimed
WO-2009010454-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 WO claimed
US-8524726-B2 Amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-30 US disclosed
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma, SA (CH) 2013-05-23 US disclosed
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE 2011-10-20 US disclosed
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-03 US disclosed
EP-2181091-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2010-05-05 EP disclosed
WO-2009010454-A2 AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2009-01-22 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-20130137704-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 NPC1 2148/4885RAB9A 1653/4885KDM4E 1390/4885
US-20100137336-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 NPC1 2148/4885RAB9A 1653/4885KDM4E 1390/4885
US-20110257182-A1 Novel amido derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM4, GRM1, GRM3 NPC1 2148/4885RAB9A 1653/4885KDM4E 1390/4885
US-20130131092-A1 NOVEL AMIDO DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM3 NPC1 2148/4885RAB9A 1653/4885KDM4E 1390/4885

“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.