SCHEMBL5481570

SCHEMBL5481570

ClCc1ncn(-c2cccc(Cl)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
FGFR1 P11362 1/20 0.42
IDO1 P14902 1/20 0.41
HCAR1 Q9BXC0 1/20 0.39
PARP1 P09874 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
POLB P06746 1/20 0.39
MGLL Q99685 1/20 0.39
FLT3 P36888 1/20 0.38
GSK3B P49841 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
PKM P14618 1/20 0.37
HTR1A P08908 2/20 0.37
HTR7 P34969 1/20 0.37
LMNA P02545 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
SCHEMBL5477117 0.86 NOTUM (0.52) NOTUMSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL21849284 0.86 NOTUM (0.47) NOTUMSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL23975938 0.83 KEAP1 (0.47) NOTUMSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL4886785 0.81 HPGD (0.47) NOTUMSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL11605245 0.80 RXRA (0.50) NOTUMSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL5481442 0.78 NOTUM (0.40) NOTUMSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL16202012 0.77 NOTUM (0.47) NOTUMSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL10361336 0.77 NOTUM (0.47) NOTUMSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL22366360 0.76 NOTUM (0.39) NOTUMSMN1; SMN2L3MBTL1ALDH1A1HPGD
SCHEMBL21849574 0.73 NOTUM (0.44) NOTUMSMN1; SMN2L3MBTL1ALDH1A1HPGD

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 6 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
EP-1720544-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2006-11-15 EP 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-2005089747-A1 NOVEL AZABICYCLIC DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2005-09-29 WO 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 NOTUM 4056/4885SMN1; SMN2 4254/4885L3MBTL1 4706/4885
US-20070185178-A1 Triazole compounds and their use as metabotropic glutamate receptor antagonists GRM5, GRM3, GRIK5 NOTUM 4132/4885SMN1; SMN2 2393/4885L3MBTL1 4133/4885

“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.