SCHEMBL370291

SCHEMBL370291

COc1ccc(Cn2cc(I)c(C(=O)O)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
CACNA1G O43497 2/20 0.46
CACNA1H O95180 2/20 0.46
CACNA1I Q9P0X4 2/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
AADAT Q8N5Z0 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
HDAC1 Q13547 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CMA1 P23946 1/20 0.42
CHRM1 P11229 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SNCA P37840 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ALKBH1 Q13686 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGER4 P35408 1/20 0.41

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
SCHEMBL369192 0.89 AADAT (0.44) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL369627 0.88 CACNA1G (0.45) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL370013 0.85 MAPT (0.46) KMT2AMEN1L3MBTL1SMN1; SMN2
SCHEMBL365784 0.85 CACNA1G (0.43) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL25334568 0.84 NPC1 (0.54) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL957961 0.83 NPC1 (0.52) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL21858203 0.81 KMT2A (0.43) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL1645044 0.80 DCTPP1 (0.47) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL5578223 0.80 CACNA1G (0.47) KMT2ACACNA1GCACNA1HCACNA1IMEN1
SCHEMBL370625 0.79 MEN1 (0.44) KMT2ACACNA1GCACNA1HCACNA1IMEN1

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 KMT2A 1336/4885CACNA1G 325/4885CACNA1H 375/4885

“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.