SCHEMBL4804346

SCHEMBL4804346

COC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)s1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
HDAC3 O15379 3/20 0.55
HDAC4 P56524 3/20 0.55
HDAC1 Q13547 3/20 0.55
HDAC7 Q8WUI4 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC10 Q969S8 3/20 0.55
HDAC11 Q96DB2 3/20 0.55
HDAC8 Q9BY41 3/20 0.55
HDAC6 Q9UBN7 3/20 0.55
HDAC9 Q9UKV0 3/20 0.55
HDAC5 Q9UQL6 3/20 0.55
SCD O00767 1/20 0.52
LMNA P02545 1/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4814724 0.88 HDAC3 (0.53) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4198413 0.87 HDAC4 (0.71) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1065675 0.85 GPR6 (0.50) ALDH1A1SCDMEN1KMT2AHRH3
SCHEMBL12933726 0.85 PARP1 (0.45) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4815022 0.85 HDAC3 (0.76) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4087735 0.82 SCD (0.77) ALDH1A1SCDLMNAMEN1KMT2A
SCHEMBL28614130 0.82 SCD (0.49) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4807896 0.81 HDAC3 (0.74) ALDH1A1HDAC3HDAC4HDAC1HDAC7
SCHEMBL4818519 0.80 HRH3 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16048417 0.80 HDAC3 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS 2008-06-12 US disclosed
US-7345043-B2 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS (US) 2008-03-18 US disclosed
EP-1755601-A2 INHIBITORS OF HISTONE DEACETYLASE Miikana Therapeutics, Inc. (US) 2007-02-28 EP disclosed
US-20050250784-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS CORPORATION 2005-11-10 US disclosed
US-20050234033-A1 Inhibitors of histone deacetylase MIIKANA THERAPEUTICS 2005-10-20 US disclosed
WO-2005086898-A2 INHIBITORS OF HISTONE DEACETYLASE MIIKANA THERAPEUTICS, INC. (US) 2005-09-22 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 (3 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-20080139535-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC10 ALDH1A1 938/4885HDAC3 6/4885HDAC4 11/4885
US-20050250784-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 ALDH1A1 938/4885HDAC3 6/4885HDAC4 11/4885
US-20050234033-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC10 ALDH1A1 938/4885HDAC3 6/4885HDAC4 11/4885

“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.