SCHEMBL4689263

SCHEMBL4689263

CN(CC(C)(C)C)C(=O)c1cn2c(nc3ccc(CN4C(=O)c5ccccc5C4=O)cc32)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.42
HPGD P15428 3/20 0.39
POLB P06746 3/20 0.39
PABPC1 P11940 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 4/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
RAD52 P43351 1/20 0.35
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL4693948 0.76 GRM1 (0.40) GRM1HDAC1HDAC7HDAC4HDAC8
Hydrochloric Acid SCHEMBL7241479 0.75 GRM1 (0.51) GRM1HPGDPOLBALDH1A1HDAC1
Hydrochloric Acid SCHEMBL7240382 0.74 GRM1 (0.50) GRM1HPGDMAPTHTTTSHR
Hydrochloric Acid SCHEMBL4692127 0.73 GRM1 (0.47) GRM1MAPK1
Hydrochloric Acid SCHEMBL5544593 0.73 GRM1 (0.49) GRM1ALDH1A1GAAHDAC1HDAC8
Hydrochloric Acid SCHEMBL4692138 0.71 GRM1 (0.45) GRM1HPGDKMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL4694551 0.71 GRM1 (0.45) GRM1HPGDKMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL7233122 0.69 GRM1 (0.46) GRM1HPGDMAPTALDH1A1TSHR
Hydrochloric Acid SCHEMBL7240385 0.67 GRM1 (0.43) GRM1MAPTHTTHDAC1TSHR
SCHEMBL4694708 0.67 GRM1 (0.49) GRM1HPGDMAPTALDH1A1

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 1/4885HPGD 3719/4885POLB 3191/4885

“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.