SCHEMBL2825978

SCHEMBL2825978

CC(=O)OCc1cccc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
BACE1 P56817 5/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
NOS2 P35228 2/20 0.40
NOS1 P29475 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CPB2 Q96IY4 1/20 0.39
NOS3 P29474 1/20 0.38
HSD17B10 Q99714 1/20 0.38
APP P05067 1/20 0.37
XIAP P98170 1/20 0.37
BIRC2 Q13490 1/20 0.37
CA2 P00918 1/20 0.37
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL27680513 0.85 BACE1 (0.43) ALDH1A1BACE1KDM4EMAPTNOS2
SCHEMBL6984472 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19KDM4ENPSR1
SCHEMBL6971769 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19KDM4ENPSR1
SCHEMBL1558091 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19KDM4ENPSR1
SCHEMBL13211474 0.81 ALDH1A1 (0.47) ALDH1A1CYP1A2CYP2C19KDM4ENPSR1
SCHEMBL9298499 0.80 MBOAT4 (0.44) ALDH1A1CYP1A2CYP2C19NPSR1
SCHEMBL6973532 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19KDM4ENPSR1
SCHEMBL16415765 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19KDM4ENPSR1
SCHEMBL9303916 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19KDM4EMAPT
SCHEMBL6974344 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C19KDM4ENPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101035762-B Alkil-pyridines as 11-beta inhibitors for diabetes HOFFMANN LA ROCHE 2010-09-29 CN disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
US-7678815-B2 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1844044-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 EP disclosed
CN-101035762-A Alkil-pyridines as 11-beta inhibitors for diabetes HOFFMANN LA ROCHE (CH) 2007-09-12 CN disclosed
US-20060160857-A1 Thiazole-4-carboxyamide derivatives HOFFMANN-LA ROCHE INC. 2006-07-20 US disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 WO disclosed
WO-2006074884-A1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2006-07-20 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-20060160857-A1 Thiazole-4-carboxyamide derivatives GRM1, GRM2, GRIA4 ALDH1A1 913/4885CYP1A2 3078/4885CYP2C19 2899/4885

“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.