SCHEMBL2956145

SCHEMBL2956145

Cc1cccc(NN=CC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
HPGD P15428 2/20 0.54
GAA P10253 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
GFER P55789 1/20 0.51
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 2/20 0.49
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
EGFR P00533 1/20 0.47
MMP1 P03956 1/20 0.47

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
SCHEMBL2956142 1.00 MAPT (0.54) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2922021 0.81 MAPT (0.49) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL4184589 0.80 MAPT (0.55) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL4184585 0.80 MAPT (0.55) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL1062674 0.80 NOX1 (0.52) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL6420581 0.80 NOX1 (0.52) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL15516931 0.79 NMT1 (0.49) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL15516934 0.79 NMT1 (0.49) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL14058909 0.76 MITF (0.51) MAPTMEN1KMT2AALDH1A1RAB9A
SCHEMBL14058910 0.76 MITF (0.51) MAPTMEN1KMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 US disclosed
EP-2079730-A1 MGLUR5 MODULATORS Astra Zeneca AB (SE) 2009-07-22 EP 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

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-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 MAPT 3245/4885MEN1 3361/4885KMT2A 1103/4885

“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.