SCHEMBL5477483

SCHEMBL5477483

CC(=O)OC(C)c1cnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ADAMTS7 Q9UKP4 1/20 0.36
CASR P41180 1/20 0.36

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
SCHEMBL5477475 1.00 PKM (0.44) PKMMAPTALDH1A1MEN1NPC1
SCHEMBL5481385 0.81 PKM (0.47) PKMMAPTALDH1A1MEN1NPC1
SCHEMBL5487652 0.81 PKM (0.47) PKMMAPTALDH1A1MEN1NPC1
SCHEMBL5481153 0.81 PKM (0.47) PKMMAPTALDH1A1MEN1NPC1
SCHEMBL5490040 0.80 PKM (0.44) PKMMAPTALDH1A1MEN1NPC1
SCHEMBL2893769 0.78 GRM5 (0.50) PKMMAPTALDH1A1MEN1NPC1
SCHEMBL2893766 0.78 GRM5 (0.50) PKMMAPTALDH1A1MEN1NPC1
SCHEMBL27480876 0.70 HPGD (0.46) ALDH1A1MEN1KMT2AHPGDALOX15
SCHEMBL5483661 0.70 KCNH2 (0.57) PKMALDH1A1MEN1NPC1KMT2A
SCHEMBL5480910 0.70 KCNH2 (0.57) PKMALDH1A1MEN1NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists AATRAZENECA AB (SE) 2007-08-09 US disclosed
US-20060019997-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists ASTRAZENECA AB 2006-01-26 US 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 PKM 1538/4885MAPT 1892/4885ALDH1A1 3228/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 PKM 990/4885MAPT 1517/4885ALDH1A1 3599/4885

“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.