SCHEMBL4691771

SCHEMBL4691771

CC(C)(C)CNC(=O)c1cn2c(nc3cc(C=O)ccc32)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.36
CNR2 P34972 2/20 0.34
HDAC1 Q13547 11/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC3 O15379 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
GRM1 Q13255 3/20 0.33
IKBKE Q14164 1/20 0.32
AURKB Q96GD4 1/20 0.32
TBK1 Q9UHD2 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
SCHEMBL4691765 0.92 GRM1 (0.38) ITKCNR2HDAC1GRM1IKBKE
SCHEMBL4688818 0.84 CNR2 (0.35) ITKCNR2GRM1IKBKEAURKB
SCHEMBL4688576 0.81 GRM1 (0.38) HDAC1HDAC8HDAC3CYP3A4CYP2D6
SCHEMBL4688812 0.77 GRM1 (0.42) CNR2GRM1LMNACNR1
SCHEMBL4691978 0.77 MAPT (0.41) HDAC1HDAC8HDAC3HDAC4HDAC6
Hydrochloric Acid SCHEMBL4692170 0.77 ITK (0.34) ITKCNR2GRM1
SCHEMBL4693212 0.76 METTL3 (0.41) ITKCNR2GRM1
Hydrochloric Acid SCHEMBL4694736 0.75 METTL3 (0.40) ITKCNR2GRM1
SCHEMBL4693193 0.74 GRM1 (0.46) ITKCYP3A4CYP2C19GRM1TBK1
Hydrochloric Acid SCHEMBL4694681 0.73 METTL3 (0.42) LMNA

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 ITK 3595/4885CNR2 306/4885HDAC1 759/4885

“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.