SCHEMBL4693948

SCHEMBL4693948

CN(CC(C)(C)C)C(=O)c1cn2c(nc3cc(CO)ccc32)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.40
HSD17B10 Q99714 1/20 0.34
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 0.33
HDAC5 Q9UQL6 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33

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
SCHEMBL4693943 0.91 GRM1 (0.48) GRM1HSD17B10HDAC3HDAC4HDAC1
SCHEMBL4694779 0.90 GRM1 (0.40) GRM1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL4690812 0.89 GRM1 (0.39) GRM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4688576 0.84 GRM1 (0.38) GRM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7237434 0.83 GRM1 (0.61) GRM1HSD17B10HDAC3HDAC4HDAC1
SCHEMBL7241308 0.83 GRM1 (0.44) GRM1HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7241481 0.82 GRM1 (0.43) GRM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4688067 0.82 GRM1 (0.38) GRM1ITKINSR
SCHEMBL4694778 0.82 GRM1 (0.47) GRM1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4694711 0.81 GRM1 (0.42) GRM1HSD17B10APPITKRPS6KA5

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 4 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

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 1/4885HSD17B10 1391/4885HDAC3 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.