SCHEMBL5664807

SCHEMBL5664807

Cn1cc(C(=O)c2ccccc2)cc1C=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.72
HDAC3 O15379 12/20 0.65
HDAC4 P56524 12/20 0.65
HDAC1 Q13547 12/20 0.65
HDAC7 Q8WUI4 12/20 0.65
HDAC2 Q92769 12/20 0.65
HDAC10 Q969S8 12/20 0.65
HDAC11 Q96DB2 12/20 0.65
HDAC8 Q9BY41 12/20 0.65
HDAC6 Q9UBN7 12/20 0.65
HDAC9 Q9UKV0 12/20 0.65
HDAC5 Q9UQL6 12/20 0.65
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.51
HPGD P15428 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL2073321 0.84 ATM (1.00) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL2457624 0.83 ALDH1A1 (0.74) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL28881222 0.83 HDAC8 (0.77) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL5419548 0.80 ATM (0.58) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL4258833 0.79 HDAC8 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19881938 0.77 ATM (0.55) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL5398361 0.77 HDAC8 (0.60) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL1149847 0.76 CYP2C9 (0.60) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL4848806 0.75 ATM (0.57) ATMHDAC3HDAC4HDAC1HDAC7
SCHEMBL20458727 0.72 ATM (0.54) ATMHDAC3HDAC4HDAC1HDAC7

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-20070161643-A1 Pyridin-2-one compounds useful as inhibitors of thrombin ASTRAZENECA AB (SE) 2007-07-12 US disclosed
WO-1995013266-A1 ACYLPYRROLE-ALKANOIC ACIDS AND INDOLE-2-ALKANOIC ACIDS PLUS THEIR DERIVATIVES FOR USE AS INHIBITORS OF PHOSPHOLIPASE A¿2? MERCKLE GMBH CHEM.-PHARM. FABRIK (DE) 1995-05-18 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 ATM 2177/4885HDAC3 1473/4885HDAC4 3615/4885

“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.