SCHEMBL2965634

SCHEMBL2965634

C[Si](C)(C)CCOCn1ncc(C(=O)NN)cc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 4/20 0.35
KLKB1 P03952 1/20 0.33
DGAT1 O75907 6/20 0.33
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
GAA P10253 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
F2RL1 P55085 1/20 0.31
NSD2 O96028 1/20 0.30
LMNA P02545 1/20 0.30
ALPL P05186 1/20 0.30
POLB P06746 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
RECQL P46063 1/20 0.30

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
SCHEMBL24723914 0.85 NPC1 (0.41) NPC1KLKB1DGAT1MAPTALDH1A1
SCHEMBL25018177 0.85 KDM4E (0.35) KDM4EMAPTALDH1A1GAACA1
SCHEMBL26915876 0.82 NPC1 (0.36) NPC1KLKB1DGAT1L3MBTL1F2RL1
SCHEMBL2965865 0.81 CYP2C9 (0.42) NPC1KDM4EDGAT1MAPTALDH1A1
SCHEMBL2963054 0.80 NPC1 (0.42) NPC1KDM4EKLKB1DGAT1MAPT
SCHEMBL24723912 0.78 DGAT1 (0.35) NPC1KLKB1DGAT1F2RL1
SCHEMBL18339058 0.77 MEN1 (0.39) NPC1KDM4EDGAT1MAPTALDH1A1
SCHEMBL18339054 0.77 NPC1 (0.33) NPC1DGAT1F2RL1
SCHEMBL26915819 0.77 F2RL1 (0.33) NPC1DGAT1F2RL1
SCHEMBL26915967 0.75 HRH3 (0.32) NPC1DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20230143804-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. 2023-05-11 US disclosed
US-11578066-B1 Fluoroalkyl-oxadiazoles and uses thereof TENAYA THERAPEUTICS, INC. (US) 2023-02-14 US disclosed
EP-4076448-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF Tenaya Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-114980887-A Fluoroalkyl-oxadiazoles and their use 特纳亚治疗股份有限公司 2022-08-30 CN disclosed
WO-2021127643-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF TENAYA THERAPEUTICS, INC. (US) 2021-06-24 WO 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-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-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US disclosed
US-20070259860-A1 MGluR5 modulators V 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-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 NPC1 3903/4885KDM4E 2178/4885KLKB1 3500/4885
US-11578066-B1 Fluoroalkyl-oxadiazoles and uses thereof HDAC6, HDAC1, HDAC3 NPC1 304/4885KDM4E 2132/4885KLKB1 3554/4885
US-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 NPC1 934/4885KDM4E 1403/4885KLKB1 4547/4885
US-20230143804-A1 FLUOROALKYL-OXADIAZOLES AND USES THEREOF HDAC6, HDAC1, HDAC3 NPC1 436/4885KDM4E 2804/4885KLKB1 3423/4885

“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.