SCHEMBL370508

SCHEMBL370508

COCc1nn(Cc2ccc(OC)cc2)cc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
KLKB1 P03952 14/20 0.51
CHRM1 P11229 2/20 0.46
CACNA1G O43497 1/20 0.45
CACNA1H O95180 1/20 0.45
CACNA1I Q9P0X4 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL369027 0.90 KLKB1 (0.51) KMT2AKLKB1
SCHEMBL370507 0.90 KMT2A (0.53) KMT2AKLKB1CHRM1CACNA1GCACNA1H
SCHEMBL369754 0.88 KLKB1 (0.52) KLKB1
SCHEMBL24344259 0.88 KLKB1 (0.48) KMT2AKLKB1RAB9A
SCHEMBL369529 0.86 KLKB1 (0.48) KLKB1
SCHEMBL2508574 0.86 KMT2A (0.50) KMT2AKLKB1CHRM1CACNA1GCACNA1H
SCHEMBL368790 0.84 KLKB1 (0.47) KLKB1
SCHEMBL25205458 0.84 KMT2A (0.55) KMT2ACHRM1CACNA1GCACNA1HCACNA1I
SCHEMBL1047554 0.84 KMT2A (0.55) KMT2ACHRM1CACNA1GCACNA1HCACNA1I
SCHEMBL370320 0.83 KMT2A (0.54) KMT2ACHRM1CACNA1GCACNA1HCACNA1I

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 1336/4885KLKB1 4382/4885CHRM1 293/4885

“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.