SCHEMBL4688569

SCHEMBL4688569

CN(CC(C)(C)C)C(=O)c1cn2c(nc3ccc(C=O)cc32)s1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.43
HDAC1 Q13547 3/20 0.32
HDAC3 O15379 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP2A6 P11509 1/20 0.30

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
SCHEMBL4688576 0.92 GRM1 (0.38) GRM1HDAC1HDAC3CYP3A4CYP2D6
SCHEMBL4693943 0.84 GRM1 (0.48) GRM1HDAC1HDAC3HDAC4HDAC7
SCHEMBL4694778 0.83 GRM1 (0.47) GRM1HDAC1HDAC3HDAC4HDAC7
Hydrochloric Acid SCHEMBL4690807 0.82 GRM1 (0.47) GRM1HDAC1HDAC3HDAC4HDAC7
SCHEMBL4693646 0.82 GRM1 (0.45) GRM1ALDH1A1MAPTHPGD
SCHEMBL4691765 0.81 GRM1 (0.38) GRM1HDAC1CYP2A6
SCHEMBL4691974 0.79 GRM1 (0.39) GRM1ALDH1A1MAPTHPGD
SCHEMBL7241303 0.78 GRM1 (0.51) GRM1HDAC1HDAC3CYP2C19HDAC4
SCHEMBL4693948 0.77 GRM1 (0.40) GRM1HDAC1HDAC3CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL7241479 0.77 GRM1 (0.51) GRM1HDAC1HDAC3CYP2C19HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1486501-B1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE ASTELLAS PHARMA INC (JP) 2008-09-10 EP disclosed
US-7250429-B2 Aminomethyl-substituted thiazolobenzimidazole compounds ASTELLAS PHARMA INC. (JP) 2007-07-31 US disclosed
US-20050148642-A1 Aminomethyl-substituted thiazolobenzimidazole derivative ASTELLAS PHARMA INC. (JP) 2005-07-07 US disclosed
EP-1486501-A1 AMINOMETHYL-SUBSTITUTED THIAZOLOBENZIMIDAZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2004-12-15 EP disclosed
US-6642264-B1 Thiazolo(3,2-a)benzoimidazole derivatives act specifically on metabotropic glutamate receptors and are used as medicaments. YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2003-11-04 US disclosed
EP-1167369-A1 NOVEL THIAZOLOBENZIMIDAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2002-01-02 EP 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-20050148642-A1 Aminomethyl-substituted thiazolobenzimidazole derivative GRM1, GRIN1, GRM3 GRM1 1/4885HDAC1 759/4885HDAC3 1075/4885

“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.