SCHEMBL2978281

SCHEMBL2978281

COC(=O)c1cnc(N2CCc3[nH]c4cc(-c5ccccc5)ccc4c3C2)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 6/20 0.42
CCND1 P24385 6/20 0.42
GBA1 P04062 1/20 0.41
CFTR P13569 2/20 0.40
SGK1 O00141 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
BAZ2B Q9UIF8 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
OGA O60502 1/20 0.39
FAAH O00519 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
KIF11 P52732 1/20 0.38
NEK1 Q96PY6 1/20 0.38
AXL P30530 1/20 0.38
NR4A2 P43354 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
SCHEMBL2970590 0.90 CDK4 (0.39) CDK4CCND1GBA1CFTRLMNA
SCHEMBL2978826 0.88 HDAC6 (0.48) GBA1CFTR
SCHEMBL2978156 0.86 CHRM3 (0.42) KMT2A
SCHEMBL2978815 0.85 BAZ2B (0.46) CFTRLMNAMAPTBAZ2BTRPV1
SCHEMBL2986268 0.84 BAZ2B (0.46) CDK4CCND1CFTRLMNAMAPT
SCHEMBL2973481 0.83 SIRT2 (0.44) CDK4CCND1CFTRLMNAMAPT
SCHEMBL2981581 0.83 POLB (0.41) CFTRLMNABAZ2BOGAKMT2A
SCHEMBL2966425 0.83 POLB (0.43) CFTRLMNAMAPTBAZ2BKMT2A
SCHEMBL2970389 0.82 SIRT2 (0.43) CDK4CCND1CFTRLMNAMAPT
SCHEMBL2978678 0.82 SIRT2 (0.43) CFTRLMNAMAPTBAZ2BTRPV1

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 CDK4 263/4885CCND1 435/4885GBA1 1174/4885

“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.