SCHEMBL4692231

SCHEMBL4692231

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRM1 Q13255 3/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
METTL3 Q86U44 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.39
MCHR1 Q99705 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4692232 0.93 HPGD (0.44) HPGDMAPK1HTTHSD17B10LMNA
Hydrochloric Acid SCHEMBL4694652 0.87 METTL3 (0.43) HPGDGRM1LMNAALDH1A1METTL3
Hydrochloric Acid SCHEMBL5545888 0.86 METTL3 (0.42) HPGDGRM1LMNAALDH1A1METTL3
Hydrochloric Acid SCHEMBL4694551 0.84 GRM1 (0.45) HPGDGRM1ALDH1A1METTL3RAB9A
Hydrochloric Acid SCHEMBL4692138 0.84 GRM1 (0.45) HPGDGRM1ALDH1A1METTL3RAB9A
Hydrochloric Acid SCHEMBL4694679 0.83 METTL3 (0.42) HPGDHTTHSD17B10GRM1LMNA
Hydrochloric Acid SCHEMBL4691990 0.83 GRM1 (0.45) HPGDGRM1LMNAALDH1A1METTL3
Hydrochloric Acid SCHEMBL4694677 0.83 METTL3 (0.42) HPGDHTTHSD17B10GRM1LMNA
Hydrochloric Acid SCHEMBL4689363 0.81 GRM1 (0.45) HPGDGRM1ALDH1A1METTL3MAPT
Hydrochloric Acid SCHEMBL4691954 0.81 GRM1 (0.52) HPGDHTTGRM1ALDH1A1METTL3

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 HPGD 3719/4885MAPK1 734/4885HTT 3959/4885

“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.