SCHEMBL4691978

SCHEMBL4691978

CCOC(=O)c1cn2c(nc3cc(C=O)ccc32)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 5/20 0.39
PKM P14618 1/20 0.39
ERN1 O75460 2/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35

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
SCHEMBL4691974 0.91 GRM1 (0.39) MAPTTP53ALDH1A1PKMERN1
SCHEMBL4693300 0.83 MAPT (0.41) MAPTTP53ALDH1A1PKMMEN1
SCHEMBL7231459 0.81 KDM4E (0.47) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL4688576 0.79 GRM1 (0.38) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL4691771 0.77 ITK (0.36) HDAC1HDAC8LMNAHDAC3HDAC4
SCHEMBL4693293 0.76 GRM1 (0.44) MAPTTP53ALDH1A1PKMKDM4E
SCHEMBL4693651 0.74 GRM1 (0.39) HDAC1HDAC8HDAC3HDAC4HDAC6
SCHEMBL7233834 0.72 KDM4E (0.37) MAPTTP53ALDH1A1PKMKDM4E
SCHEMBL4692232 0.72 HPGD (0.44) MAPTALDH1A1KMT2ALMNAHPGD
SCHEMBL7242330 0.72 KDM4E (0.36) MAPTTP53ALDH1A1PKMKDM4E

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 MAPT 4384/4885TP53 4821/4885ALDH1A1 960/4885

“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.