SCHEMBL366183

SCHEMBL366183

COc1ccc(Cn2cc(-c3csc(Nc4nccc(C)n4)n3)c(Br)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
AMY1A P0DUB6 1/20 0.40
WNT3A P56704 1/20 0.39
GAA P10253 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
PTGS2 P35354 2/20 0.38
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
VCP P55072 1/20 0.37
ATM Q13315 1/20 0.37
ALOX5 P09917 1/20 0.37

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
SCHEMBL370879 0.91 MEN1 (0.44) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL369474 0.87 WNT3A (0.39) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL2536307 0.86 MAPT (0.42) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL2512904 0.86 RAB9A (0.44) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL369359 0.82 KMT2A (0.35) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL370432 0.82 RAB9A (0.45) MEN1KMT2ANPC1RAB9AWNT3A
SCHEMBL369911 0.79 WNT3A (0.37) MEN1KMT2AAMY1AWNT3AGAA
SCHEMBL370330 0.79 WNT3A (0.37) MEN1KMT2ANPC1RAB9AAMY1A
SCHEMBL369452 0.77 KDM1A (0.38) MEN1KMT2AAMY1AWNT3ASMN1; SMN2
SCHEMBL369558 0.76 CSNK2A1 (0.42) MEN1KMT2ANPC1RAB9AAMY1A

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 6 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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
EP-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP disclosed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 3967/4885KMT2A 2333/4885NPC1 1128/4885
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 MEN1 4364/4885KMT2A 1336/4885NPC1 1289/4885

“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.