SCHEMBL2896797

SCHEMBL2896797

Cn1ccc(C(=O)NN)cc1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.47
AOC2 O75106 2/20 0.46
KDM4E B2RXH2 7/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.42
MAPK8 P45983 1/20 0.41
MPO P05164 2/20 0.41
CYP3A4 P08684 2/20 0.41
BLM P54132 2/20 0.41
KDM5A P29375 1/20 0.41
GFER P55789 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
MYC P01106 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL13702424 0.84 HDAC8 (0.46) PRMT5MAPK8HTTSMN1; SMN2SLC18A3
SCHEMBL14507611 0.83 PRMT5 (0.51) PRMT5ALDH1A1MAPK8ALDH2SMN1; SMN2
SCHEMBL2304354 0.79 BRD4 (0.49) PRMT5KDM4EALDH1A1SMN1; SMN2SLC18A3
SCHEMBL13701771 0.79 MAPT (0.48) PRMT5ALDH1A1MAPTMAPK8LMNA
SCHEMBL13702174 0.79 MAPT (0.47) PRMT5KDM4EALDH1A1MAPTCYP3A4
SCHEMBL18038186 0.78 AOC2 (0.43) AOC2KDM4EALDH1A1MAPTMPO
SCHEMBL1256450 0.77 CREBBP (0.42) PRMT5KDM4EALDH1A1MAPTBLM
SCHEMBL12640247 0.77 SLC18A3 (0.41) PRMT5KDM4EALDH1A1MAPTLMNA
SCHEMBL2899557 0.76 CASP3 (0.47) KDM4EALDH1A1MAPTGFERCA1
SCHEMBL15069309 0.76 ATM (0.41) PRMT5KDM4EALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101918399-A Amino 1,2,4-triazole derivatives as modulators of MGLUR5 ASTRAZENECA AB 2010-12-15 CN disclosed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
US-7678796-B2 MGluR5 modulators I ASTRAZENECA AB (SE) 2010-03-16 US disclosed
EP-2079730-A1 MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-07-22 EP disclosed
WO-2009054791-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 US disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 US disclosed
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting ASTRAZENECA AB (SE) 2008-05-29 US disclosed
WO-2008041075-A1 MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2008041075-A1 MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2008-04-10 WO disclosed
WO-2007130820-A2 MGLUR5 MODULATORS I ASTRAZENECA AB (SE) 2007-11-15 WO disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259862-A1 MGluR5 modulators I ASTRAZENECA AB (SE) 2007-11-08 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 (4 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-20070259862-A1 MGluR5 modulators I GRM5, GRM1, GRIK5 PRMT5 425/4885AOC2 4521/4885KDM4E 1771/4885
US-20090111820-A1 FUSED PYRROLIDINE 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 PRMT5 120/4885AOC2 4406/4885KDM4E 1610/4885
US-20080125436-A1 4-(5-{(1R)-1-[5-(3-Chlorophenyl)isoxazol-3-yl]ethoxy}-4-methyl-4H-1,2,- 4-triazol-3-yl)-1-methylpyridin-2(1H)-one; transient lower esophageal sphincter relaxations; gastroesophageal reflux disease; pain; anxiety; irritable bowel syndrome; metabotropic glutamate receptor inhibitors; peripherally acting GLRA1, GRM1, GRM5 PRMT5 347/4885AOC2 3407/4885KDM4E 2178/4885
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 PRMT5 115/4885AOC2 4243/4885KDM4E 1162/4885

“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.