SCHEMBL2967428

SCHEMBL2967428

CCOC(=O)c1cc(-c2cccc(I)c2)on1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ACR P10323 1/20 0.52
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TP53 P04637 3/20 0.48
MEN1 O00255 1/20 0.48
LMNA P02545 1/20 0.48
KMT2A Q03164 1/20 0.48
PTPN1 P18031 1/20 0.48
CYP1A2 P05177 1/20 0.48
MAPT P10636 7/20 0.47
POLB P06746 1/20 0.45
CFTR P13569 1/20 0.45

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
SCHEMBL2967105 0.86 TP53 (0.57) L3MBTL1ACRHPGDKDM4EALDH1A1
SCHEMBL27237216 0.85 ACR (0.58) L3MBTL1ACRHPGDALDH1A1TP53
SCHEMBL4051030 0.85 NOTUM (0.60) HPGDKDM4EALDH1A1TP53MEN1
SCHEMBL768649 0.85 ACR (0.63) L3MBTL1ACRHPGDALDH1A1TP53
SCHEMBL28628530 0.84 L3MBTL1 (0.55) L3MBTL1ACRHPGDKDM4EALDH1A1
SCHEMBL5620054 0.84 SMN1; SMN2 (0.56) L3MBTL1ACRHPGDKDM4EALDH1A1
SCHEMBL210302 0.84 TRPM8 (0.55) L3MBTL1ACRHPGDKDM4EALDH1A1
SCHEMBL1227407 0.84 L3MBTL1 (0.73) L3MBTL1ACRHPGDKDM4EALDH1A1
SCHEMBL2108368 0.81 MAPT (0.57) L3MBTL1ACRHPGDKDM4EALDH1A1
SCHEMBL29775668 0.81 MAPT (0.57) L3MBTL1ACRHPGDKDM4EALDH1A1

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-7772235-B2 mGluR5 modulators ASTRAZENECA AB (SE) 2010-08-10 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

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 L3MBTL1 3546/4885ACR 4875/4885HPGD 1097/4885

“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.