SCHEMBL2920741

SCHEMBL2920741

CN(Cc1cc(-c2cccc(Cl)c2)on1)c1nnc(-c2cc(=O)[nH]cn2)n1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.38
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
HSD11B1 P28845 1/20 0.34
RAB9A P51151 7/20 0.33
NPC1 O15118 6/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
USP30 Q70CQ3 1/20 0.33
KMT2A Q03164 1/20 0.33
CXCR1 P25024 1/20 0.33
THRB P10828 1/20 0.33
MDM2 Q00987 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ADORA2B P29275 1/20 0.32
ADORA1 P30542 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
SCHEMBL2914059 0.88 GRM5 (0.40) GRM5TP53SMN1; SMN2HDAC6HSD11B1
SCHEMBL2910155 0.79 MAPK14 (0.37) GRM5RAB9AALDH1A1LMNAKMT2A
SCHEMBL2896283 0.71 GRM5 (0.42) GRM5TP53SMN1; SMN2HSD11B1RAB9A
SCHEMBL2896290 0.71 GRM5 (0.42) GRM5TP53SMN1; SMN2HSD11B1RAB9A
SCHEMBL5481037 0.71 GRM5 (0.39) GRM5TP53SMN1; SMN2HSD11B1RAB9A
SCHEMBL1544945 0.71 KCNH2 (0.45) GRM5TP53SMN1; SMN2HDAC6RAB9A
SCHEMBL4089560 0.70 GRM5 (0.41) GRM5TP53SMN1; SMN2HDAC6RAB9A
SCHEMBL2913730 0.69 GRM5 (0.57) GRM5TP53SMN1; SMN2HSD11B1RAB9A
SCHEMBL4105476 0.69 GRM5 (0.40) GRM5TP53SMN1; SMN2HDAC6HSD11B1
SCHEMBL1544476 0.67 LMNA (0.53) GRM5TP53SMN1; SMN2RAB9ANPC1

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
EP-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 EP claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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 (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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885TP53 4884/4885SMN1; SMN2 1719/4885

“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.