SCHEMBL5487663

SCHEMBL5487663

CC(O)c1cnn(-c2cccc(Cl)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.44
NOTUM Q6P988 2/20 0.43
PRMT5 O14744 1/20 0.42
GCGR P47871 1/20 0.40
KCNT1 Q5JUK3 1/20 0.40
MAPK10 P53779 1/20 0.40
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
FLT3 P36888 1/20 0.39
GSK3B P49841 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 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
SCHEMBL2609427 0.88 KDM5B (0.48) KDM5BNOTUMPRMT5GCGRKCNT1
SCHEMBL31517441 0.85 GCGR (0.43) KDM5BNOTUMPRMT5GCGRKCNT1
SCHEMBL31517572 0.81 GCGR (0.43) KDM5BNOTUMPRMT5GCGRKCNT1
SCHEMBL9133346 0.81 KDM5B (0.43) KDM5BNOTUMPRMT5GCGRMAPK10
SCHEMBL31517340 0.79 LMNA (0.48) KDM5BNOTUMPRMT5GCGRMAPK10
SCHEMBL31517207 0.79 APP (0.43) KDM5BNOTUMPRMT5GCGRKCNT1
SCHEMBL15930134 0.77 HPGDS (0.48) KDM5BNOTUMPRMT5GCGRMAPK10
SCHEMBL9134471 0.76 NOTUM (0.47) KDM5BNOTUMMAPK10PARP1PARP2
SCHEMBL27965655 0.75 HPGDS (0.49) NOTUMPRMT5GCGRMAPK10MAPT
SCHEMBL14692465 0.75 HPGDS (0.51) NOTUMPRMT5MAPK10PARP1PARP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101018779-A Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB (SE) 2007-08-15 CN disclosed
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US disclosed
EP-1720860-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2006-11-15 EP disclosed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US disclosed
WO-2005080379-A1 TRIAZOLE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS ASTRAZENECA AB (US) 2005-09-01 WO 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 (2 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-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM3, GRIN3A, GRM1 KDM5B 2582/4885NOTUM 4056/4885PRMT5 792/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 KDM5B 2595/4885NOTUM 4132/4885PRMT5 711/4885

“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.