SCHEMBL2512403

SCHEMBL2512403

COc1ccc(Cn2cc(-c3nc(Nc4ccccn4)sc3N3CCCCC3)cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
GRM4 Q14833 1/20 0.38
CACNA1H O95180 1/20 0.37
BUB1 O43683 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
BCL2L1 Q07817 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL3356253 0.85 MEN1 (0.45) MEN1HTTKMT2ASMN1; SMN2NPC1
SCHEMBL3353868 0.85 GRM4 (0.53) MEN1HTTKMT2ASMN1; SMN2NPC1
SCHEMBL2510554 0.85 MEN1 (0.45) MEN1HTTKMT2ASMN1; SMN2NPC1
SCHEMBL3354490 0.85 MEN1 (0.45) MEN1HTTKMT2ASMN1; SMN2NPC1
SCHEMBL3357349 0.82 NPC1 (0.43) MEN1HTTKMT2ASMN1; SMN2NPC1
SCHEMBL3358834 0.82 MEN1 (0.43) MEN1HTTKMT2ASMN1; SMN2NPC1
SCHEMBL2532075 0.77 NPC1 (0.67) MEN1HTTKMT2ASMN1; SMN2NPC1
SCHEMBL2509685 0.75 ADORA2A (0.41) ADORA2AADORA1ACHECYP1A2CYP3A4
SCHEMBL2275225 0.75 RAB9A (0.47) MEN1HTTKMT2ASMN1; SMN2NPC1
SCHEMBL2510772 0.74 GRM4 (0.39) MEN1HTTKMT2ASMN1; SMN2NPC1

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 5 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-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
EP-2376486-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX Pharma S.A. (CH) 2011-10-19 EP disclosed
WO-2010079239-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2010-07-15 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 (1 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 MEN1 3967/4885HTT 1053/4885KMT2A 2333/4885

“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.