SCHEMBL2966428

SCHEMBL2966428

Cc1nc(N2CCc3[nH]c4ccc(-c5ccc(CO)cc5)cc4c3C2)ncc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.40
AKR1B1 P15121 1/20 0.39
BAZ2B Q9UIF8 5/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
ACHE P22303 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 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
SCHEMBL2980337 0.90 AKR1B1 (0.45) AKR1B1HDAC1HDAC6ALDH1A1GAA
SCHEMBL2981584 0.88 SIRT2 (0.40) SIRT2BAZ2BLMNAPABPC1ATM
SCHEMBL2978681 0.87 SIRT2 (0.44) SIRT2AKR1B1BAZ2BLMNAPABPC1
SCHEMBL2986272 0.85 SIRT2 (0.46) SIRT2BAZ2BLMNAPABPC1ATM
SCHEMBL2979164 0.85 BAZ2B (0.54) BAZ2BLMNAPABPC1ATMSMN1; SMN2
SCHEMBL2973482 0.84 SIRT2 (0.44) SIRT2BAZ2BLMNAPABPC1ATM
SCHEMBL2970394 0.84 SIRT2 (0.44) SIRT2BAZ2BLMNAPABPC1ATM
SCHEMBL2972061 0.84 SIRT2 (0.41) SIRT2AKR1B1BAZ2BALDH1A1KDM4E
SCHEMBL2978283 0.84 MPL (0.41) SIRT2BAZ2BLMNASMN1; SMN2POLB
SCHEMBL2970698 0.84 BAZ2B (0.54) BAZ2BLMNAPABPC1ATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772245-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
EP-1851219-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-11-07 EP disclosed
US-20060199829-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS, INC. 2006-09-07 US disclosed
WO-2006088949-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2006-08-24 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-20060199829-A1 Inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 SIRT2 28/4885AKR1B1 1075/4885BAZ2B 33/4885

“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.