SCHEMBL370317

SCHEMBL370317

COCc1c(-c2csc(N)n2)cnn1Cc1ccc(OC)cc1

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 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.45
THRB P10828 1/20 0.45
NPBWR1 P48145 4/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 2/20 0.39
CDC25A P30304 1/20 0.38
CDC25B P30305 1/20 0.38
MCHR1 Q99705 1/20 0.38
BACE1 P56817 1/20 0.38
CYP1A2 P05177 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
SCHEMBL368822 0.78 KMT2A (0.38) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL371018 0.78 MAPT (0.44) LTA4HALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL370629 0.76 LTA4H (0.50) LTA4HALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL370452 0.72 LTA4H (0.61) LTA4HALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL3355868 0.70 NPC1 (0.58) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL370914 0.69 NPBWR1 (0.48) NPC1KDM4ENPBWR1LMNAMCHR1
SCHEMBL369974 0.69 NPBWR1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9ANPBWR1
SCHEMBL369444 0.69 NPBWR1 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL370326 0.68 NPBWR1 (0.47) NPBWR1MCHR1
SCHEMBL4236943 0.68 MEN1 (0.57) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A

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.