SCHEMBL5647458

SCHEMBL5647458

Cc1ccn(N)c(=O)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 2/20 0.41
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 4/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
EGFR P00533 1/20 0.36
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SLC22A12 Q96S37 3/20 0.35
KLKB1 P03952 1/20 0.34
CTSB P07858 1/20 0.34
PTGS2 P35354 1/20 0.34
ALKBH3 Q96Q83 1/20 0.34
F2 P00734 3/20 0.34

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
SCHEMBL5968615 0.70 F2 (0.42) IDH1CYP1A2CYP3A4CYP2C19F2
SCHEMBL1004574 0.69 KDM4E (0.58) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL1258872 0.67 CYP1A2 (0.50) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL28474465 0.67 KDM4E (0.51) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL2552936 0.66 PTGS2 (0.54) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL10949536 0.66 EGFR (0.39) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL11443283 0.64 CYP1A2 (0.44) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL7911305 0.63 PTGS2 (0.56) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL2047862 0.63 KDM4E (0.51) CYP1A2CYP3A4CYP2C19KDM4EMAPT
SCHEMBL3814670 0.63 KLKB1 (0.38) CYP1A2CYP3A4CYP2C19KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
EP-1713774-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN AstraZeneca AB (SE) 2006-10-25 EP disclosed
WO-2005075424-A1 NEW PYRIDIN-2-ONE COMPOUNDS USEFUL AS INHIBITORS OF THROMBIN ASTRAZENECA AB (SE) 2005-08-18 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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin PLG, F2, PLAT IDH1 1484/4885CYP1A2 165/4885CYP3A4 267/4885

“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.