SCHEMBL369496

SCHEMBL369496

COc1ccc(Cn2cc(Br)c(-c3csc(N)n3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.52
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.49
KDM4E B2RXH2 1/20 0.41
THRB P10828 1/20 0.41
PTGS2 P35354 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
BACE1 P56817 2/20 0.39
GAA P10253 1/20 0.38
NR1I3 Q14994 1/20 0.38
AADAT Q8N5Z0 1/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
CDC25A P30304 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
SCHEMBL370629 0.77 LTA4H (0.50) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL16784448 0.77 KMT2A (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL370452 0.76 LTA4H (0.61) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL370056 0.75 TGFBR1 (0.45) LTA4HNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30922327 0.72 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL25027880 0.72 PTGS2 (0.45) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL4311736 0.69 MAPT (0.55) SMN1; SMN2MAPTPTGS2MEN1KMT2A
SCHEMBL7258447 0.69 MEN1 (0.47) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL11931352 0.68 NPC1 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL25334568 0.68 NPC1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 LTA4H 1303/4885NPC1 1289/4885RAB9A 2094/4885

“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.