SCHEMBL370629

SCHEMBL370629

COCc1nn(Cc2ccc(OC)cc2)cc1-c1csc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 3/20 0.45
THRB P10828 1/20 0.45
RECQL P46063 1/20 0.43
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
BACE1 P56817 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.37
PTGS2 P35354 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
LMNA P02545 1/20 0.36
KLKB1 P03952 1/20 0.36
HSP90AA1 P07900 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
SCHEMBL369583 0.78 KLKB1 (0.40) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL369496 0.77 LTA4H (0.52) LTA4HALDH1A1MAPTNPC1RAB9A
SCHEMBL370452 0.77 LTA4H (0.61) LTA4HALDH1A1MAPTNPC1RAB9A
SCHEMBL370317 0.76 LTA4H (0.50) LTA4HALDH1A1MAPTNPC1RAB9A
SCHEMBL1051258 0.73 RECQL (0.44) LTA4HALDH1A1MAPTNPC1RAB9A
SCHEMBL370056 0.72 TGFBR1 (0.45) LTA4HALDH1A1MAPTNPC1RAB9A
SCHEMBL7692778 0.70 ALDH1A1 (0.40) LTA4HALDH1A1MAPTNPC1RAB9A
SCHEMBL369027 0.70 KLKB1 (0.51) KMT2AKLKB1
SCHEMBL370508 0.70 KMT2A (0.53) NPC1RAB9AMEN1KMT2AKLKB1
SCHEMBL3354435 0.70 NPC1 (0.58) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2

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 1303/4885ALDH1A1 2554/4885MAPT 971/4885

“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.