SCHEMBL2532075

SCHEMBL2532075

COc1ccc(Cn2cc(-c3csc(Nc4ccccn4)n3)cn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 14/20 0.67
RAB9A P51151 14/20 0.67
MEN1 O00255 12/20 0.67
KMT2A Q03164 12/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
MAPT P10636 6/20 0.67
NFKB1 P19838 5/20 0.67
NFKB2 Q00653 5/20 0.67
RELA Q04206 5/20 0.67
MAPK1 P28482 3/20 0.67
HTT P42858 1/20 0.67
TP53 P04637 2/20 0.51
LMNA P02545 2/20 0.51
GRM4 Q14833 2/20 0.51
KCNH2 Q12809 1/20 0.51
GAA P10253 5/20 0.50
ALDH1A1 P00352 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
MECP2 P51608 1/20 0.47
KCNN1 Q92952 1/20 0.47

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
SCHEMBL2533440 0.89 RAB9A (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2507444 0.86 GAA (0.54) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2275225 0.84 RAB9A (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4064704 0.83 NPC1 (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3354435 0.83 NPC1 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3356253 0.82 MEN1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL3353868 0.82 GRM4 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL370432 0.82 RAB9A (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2535401 0.82 NPC1 (0.60) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL2510554 0.81 MEN1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073907-B2 Thiazoles derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2015-07-07 US disclosed
EP-2376486-B1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2013-11-06 EP disclosed
US-8524718-B2 Heteroaromatic derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-09-03 US disclosed
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors BOLEA CHRISTELLE (CH) 2012-12-27 US disclosed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 US disclosed
CN-101874029-A Pyrazole derivatives as metabotropic glutamate receptor modulators ADDEX PHARMACEUTICALS SA 2010-10-27 CN disclosed
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2010-06-10 US disclosed
EP-2181110-A2 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2010-05-05 EP disclosed
WO-2009010455-A2 PYRAZOLE DERIVATIVES AS 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 (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-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM2, GRM1 NPC1 1128/4885RAB9A 2177/4885MEN1 3967/4885
US-20100144756-A1 NOVEL HETEROAROMATIC DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM3, GRM4, GRM2 NPC1 2378/4885RAB9A 2813/4885MEN1 3884/4885
US-20120329811-A1 Heteroaromatic Derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors GRM3, GRM4, GRM1 NPC1 2504/4885RAB9A 3067/4885MEN1 3722/4885

“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.