SCHEMBL4693293

SCHEMBL4693293

CCOC(=O)c1cn2c(nc3ccc(CO)cc32)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.44
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
CDC7 O00311 4/20 0.38
DBF4 Q9UBU7 4/20 0.38
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PDE2A O00408 1/20 0.37

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
SCHEMBL4693300 0.91 MAPT (0.41) GRM1CA12CA2CA3CA4
SCHEMBL7241226 0.88 GRM1 (0.47) GRM1CA12CA2CA3CA6
SCHEMBL4691974 0.83 GRM1 (0.39) GRM1MAPTTP53ALDH1A1PKM
SCHEMBL4692150 0.83 GRM1 (0.43) GRM1CA12CA2CA3CA4
SCHEMBL7231459 0.82 KDM4E (0.47) ALDH1A1HSD17B10HPGDNPSR1KDM4E
SCHEMBL7233824 0.80 GRM1 (0.37) GRM1MAPTALDH1A1PKMCDC7
SCHEMBL4693943 0.79 GRM1 (0.48) GRM1MAPTALDH1A1HSD17B10HPGD
SCHEMBL7241230 0.79 GRM1 (0.39) GRM1CA12CA2CA3CA6
SCHEMBL4692231 0.77 HPGD (0.44) GRM1MAPTALDH1A1HSD17B10HPGD
SCHEMBL4688812 0.76 GRM1 (0.42) GRM1MAPTALDH1A1HSD17B10NPSR1

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 1/4885CA12 3735/4885CA2 623/4885

“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.