SCHEMBL2980332

SCHEMBL2980332

COC(=O)c1cnc(N2CCc3[nH]c4ccc(-c5ccc(CN6CCCC6)cc5)cc4c3C2)nc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
AKR1B1 P15121 1/20 0.44
CHKA P35790 1/20 0.43
CHEK1 O14757 3/20 0.43
ACHE P22303 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
DYRK1A Q13627 3/20 0.41
GSK3B P49841 1/20 0.41
NPC1 O15118 1/20 0.41
WNT1 P04628 2/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL2966425 0.90 POLB (0.43) HDAC1HDAC6AKR1B1KDM4EALDH1A1
SCHEMBL2976382 0.89 HDAC6 (0.58) HDAC1HDAC6AKR1B1CHEK1ACHE
SCHEMBL2979588 0.86 TLR8 (0.47) HDAC1HDAC6AKR1B1CHEK1ACHE
SCHEMBL2978995 0.86 CHRM3 (0.50) HDAC1HDAC6AKR1B1ACHE
SCHEMBL2971989 0.86 HDAC1 (0.46) HDAC1HDAC6AKR1B1CHKACHEK1
SCHEMBL2978156 0.86 CHRM3 (0.42) HDAC1HDAC6ACHEDYRK1AWNT1
SCHEMBL2970778 0.85 BAZ2B (0.42) HDAC1HDAC6AKR1B1CHEK1ACHE
SCHEMBL2981581 0.84 POLB (0.41) KDM4EALDH1A1ALOX15HSD17B10POLB
SCHEMBL2978935 0.84 ACHE (0.40) HDAC1HDAC6AKR1B1ACHEKDM4E
SCHEMBL2976043 0.84 MAP3K11 (0.42) HDAC1HDAC6AKR1B1ACHEALDH1A1

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 HDAC1 1/4885HDAC6 11/4885AKR1B1 1075/4885

“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.