SCHEMBL1011616

SCHEMBL1011616

NC(=O)c1cnc(N2CC3C(CNCc4ccc5cc(F)ccc5n4)C3C2)nc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.63
HDAC2 Q92769 14/20 0.63
HDAC3 O15379 13/20 0.63
HDAC4 P56524 13/20 0.63
HDAC7 Q8WUI4 13/20 0.63
HDAC10 Q969S8 13/20 0.63
HDAC11 Q96DB2 13/20 0.63
HDAC8 Q9BY41 13/20 0.63
HDAC6 Q9UBN7 13/20 0.63
HDAC9 Q9UKV0 13/20 0.63
HDAC5 Q9UQL6 13/20 0.63
CYP3A4 P08684 1/20 0.63
MAPT P10636 1/20 0.36
HCRTR1 O43613 4/20 0.36
HCRTR2 O43614 4/20 0.36
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL8242833 0.90 HDAC1 (0.77) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1010499 0.87 HDAC1 (0.81) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL1011870 0.87 HDAC1 (0.60) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL26693488 0.81 HDAC1 (0.56) HDAC1HDAC2HDAC3HDAC4HDAC7
Nanatinostat SCHEMBL22712419 0.77 HDAC3 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
Nanatinostat SCHEMBL29602260 0.77 HDAC3 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
Nanatinostat SCHEMBL29453926 0.77 HDAC3 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
Nanatinostat SCHEMBL22712415 0.77 HDAC3 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
Nanatinostat SCHEMBL22712412 0.77 HDAC3 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7
Nanatinostat SCHEMBL1014672 0.77 HDAC3 (1.00) HDAC1HDAC2HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932246-B2 Histone deacetylase inhibitors CHROMA THERAPEUTICS LTD. (GB) 2011-04-26 US disclosed
EP-1881977-B1 HISTONE DEACETYLASE INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2011-01-05 EP disclosed
US-20100152155-A1 Histone Deacetylase Inhibitors CHROMA THERAPEUTICS LTD. (GB) 2010-06-17 US 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-20100152155-A1 Histone Deacetylase Inhibitors HDAC1, HDAC2, HDAC11 HDAC1 1/4885HDAC2 2/4885HDAC3 6/4885

“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.