SCHEMBL1012602

SCHEMBL1012602

NC(=O)c1cnc(N2CC3CN(S(=O)(=O)c4cc(C(F)(F)F)cc(C(F)(F)F)c4)CC3C2)nc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.77
HDAC4 P56524 5/20 0.77
HDAC1 Q13547 5/20 0.77
HDAC7 Q8WUI4 5/20 0.77
HDAC2 Q92769 5/20 0.77
HDAC10 Q969S8 5/20 0.77
HDAC11 Q96DB2 5/20 0.77
HDAC8 Q9BY41 5/20 0.77
HDAC6 Q9UBN7 5/20 0.77
HDAC9 Q9UKV0 5/20 0.77
HDAC5 Q9UQL6 5/20 0.77
CAMK1D Q8IU85 2/20 0.46
CNR1 P21554 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABL1 P00519 1/20 0.41
BCR P11274 1/20 0.41
AKR1C3 P42330 1/20 0.40
RBP4 P02753 1/20 0.40
USP2 O75604 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL8249425 0.87 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012211 0.81 HDAC3 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1633738 0.79 HDAC3 (0.78) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1011281 0.76 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012579 0.73 HDAC3 (0.79) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL30423103 0.69 CHRNB2 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8241999 0.69 HDAC3 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1012603 0.68 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1014379 0.67 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL28968501 0.66 GPR119 (0.48) 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 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 HDAC3 6/4885HDAC4 7/4885HDAC1 1/4885

“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.