SCHEMBL4739459

SCHEMBL4739459

CCOC(=O)c1cc(C#N)c(O)nc1CN1CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.46
ALDH1A1 P00352 10/20 0.46
L3MBTL1 Q9Y468 6/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.43
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
P2RY12 Q9H244 3/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3932256 0.97 ALDH1A1 (0.45) KDM4EALDH1A1L3MBTL1LMNAHPGD
SCHEMBL4740601 0.83 ALDH1A1 (0.53) KDM4EALDH1A1L3MBTL1LMNAHPGD
SCHEMBL3939450 0.82 GRM2 (0.38) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL4737225 0.80 ALDH1A1 (0.51) KDM4EALDH1A1L3MBTL1LMNAHPGD
SCHEMBL4166527 0.79 ALDH1A1 (0.47) KDM4EALDH1A1L3MBTL1LMNAHPGD
SCHEMBL4172207 0.76 P2RY12 (0.46) KDM4EALDH1A1L3MBTL1LMNAHPGD
SCHEMBL4740581 0.76 PDE3B (0.41) KDM4EALDH1A1L3MBTL1LMNAMAPT
SCHEMBL4737198 0.75 P2RY12 (0.63) P2RY12
SCHEMBL4739472 0.75 P2RY12 (0.75) P2RY12
SCHEMBL4738718 0.74 P2RY12 (0.64) P2RY12

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-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 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-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 KDM4E 2864/4885ALDH1A1 2394/4885L3MBTL1 4634/4885

“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.