SCHEMBL2970696

SCHEMBL2970696

COC(=O)c1cnc(N2CCc3[nH]c4ccc(N)cc4c3C2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 10/20 0.56
POLB P06746 2/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CFTR P13569 3/20 0.42
LMNA P02545 1/20 0.41
PABPC1 P11940 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDR P35968 1/20 0.41
OGA O60502 1/20 0.41
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL2986268 0.90 BAZ2B (0.46) BAZ2BPOLBGAAALOX15HSD17B10
SCHEMBL2977779 0.89 BAZ2B (0.55) BAZ2BPOLBGAAALOX15HSD17B10
SCHEMBL2980788 0.88 BAZ2B (0.56) BAZ2BPOLBGAAALOX15HSD17B10
SCHEMBL2980392 0.87 BAZ2B (0.54) BAZ2BPOLBGAAKDM4EALDH1A1
SCHEMBL2975501 0.85 BAZ2B (0.59) BAZ2BPOLBGAAALOX15HSD17B10
SCHEMBL2966425 0.83 POLB (0.43) BAZ2BPOLBGAAALOX15HSD17B10
SCHEMBL2981581 0.83 POLB (0.41) BAZ2BPOLBGAAALOX15HSD17B10
SCHEMBL2978678 0.82 SIRT2 (0.43) BAZ2BPOLBGAAALOX15HSD17B10
SCHEMBL2978815 0.82 BAZ2B (0.46) BAZ2BPOLBGAAALOX15HSD17B10
SCHEMBL2971989 0.82 HDAC1 (0.46) POLBGAAALOX15HSD17B10KDM4E

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 BAZ2B 33/4885POLB 480/4885GAA 185/4885

“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.