SCHEMBL5647737

SCHEMBL5647737

Cc1ccc(CN(C(=O)O)C(C)(C)C)c(CN)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.39
MEN1 O00255 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 3/20 0.38
THRB P10828 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
SRC P12931 1/20 0.35
KDM4E B2RXH2 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL5647255 0.84 RIPK1 (0.41) KMT2AMEN1L3MBTL1HTTLMNA
SCHEMBL16427158 0.84 F2 (0.39) KMT2AMEN1L3MBTL1HTTTHRB
SCHEMBL5645549 0.82 ALDH1A1 (0.42) KDM4ETAAR1ALDH1A1TSHRHSD17B10
SCHEMBL5650158 0.82 CYP3A4 (0.42) KMT2AMEN1L3MBTL1HTTKDM4E
SCHEMBL1799391 0.81 MEN1 (0.46) KMT2AMEN1L3MBTL1HTTLMNA
SCHEMBL8754809 0.81 LMNA (0.39) KMT2AMEN1L3MBTL1HTTLMNA
SCHEMBL5648402 0.77 RIPK1 (0.38) KMT2AMEN1L3MBTL1HTTLMNA
SCHEMBL14674314 0.74 LPAR1 (0.40) KMT2AMEN1L3MBTL1HTTALDH1A1
SCHEMBL15328453 0.73 MEN1 (0.50) KMT2AMEN1L3MBTL1HTTLMNA
SCHEMBL14674236 0.71 ALDH1A1 (0.46) KMT2AMEN1L3MBTL1HTTLMNA

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 1 patent. 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

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 KMT2A 2105/4885MEN1 1252/4885L3MBTL1 171/4885

“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.