SCHEMBL5542933

SCHEMBL5542933

CSC(C)(C)CNC(=O)c1cn2c(nc3ccc(CN(C[C@H]4CCCO4)C(=O)OC(C)(C)C)cc32)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 4/20 0.33
NPC1 O15118 3/20 0.33
TP53 P04637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.33
OPRK1 P41145 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 2/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL5542942 1.00 GRM1 (0.42) GRM1MEN1KMT2ARAB9ANPC1
SCHEMBL5542947 0.94 GRM1 (0.36) GRM1MEN1KMT2ARAB9ANPC1
SCHEMBL4691273 0.93 GRM1 (0.44) GRM1MEN1KMT2ARAB9ANPC1
SCHEMBL4691276 0.93 GRM1 (0.44) GRM1MEN1KMT2ARAB9ANPC1
SCHEMBL4692237 0.88 GRM1 (0.46) GRM1MEN1KMT2ATP53L3MBTL1
SCHEMBL4692243 0.88 GRM1 (0.46) GRM1MEN1KMT2ATP53L3MBTL1
SCHEMBL4691968 0.88 GRM1 (0.42) GRM1MEN1KMT2ARAB9ANPC1
SCHEMBL4691279 0.87 GRM1 (0.38) GRM1MEN1KMT2ARAB9ANPC1
SCHEMBL4689299 0.87 GRM1 (0.45) GRM1MEN1KMT2ARAB9ANPC1
SCHEMBL4694653 0.84 GRM1 (0.43) GRM1MEN1KMT2ARAB9ANPC1

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-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 1/4885MEN1 2545/4885KMT2A 832/4885

“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.