SCHEMBL1066698

SCHEMBL1066698

N#Cc1ccc(CN2CCN(c3ncc(C(=O)NN(C(=O)O)c4ccc(-c5cccs5)cc4)s3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.44
PRKAA2 P54646 6/20 0.41
SCD O00767 1/20 0.38
CHRM4 P08173 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1066695 0.81 KCNH2 (0.56) KCNH2PRKAA2HDAC3HDAC1HDAC2
SCHEMBL1067870 0.81 KCNH2 (0.70) KCNH2HDAC3HDAC1HDAC2
SCHEMBL8292821 0.77 KCNH2 (0.54) KCNH2PRKAA2HDAC3HDAC1HDAC2
SCHEMBL8291330 0.76 KCNH2 (0.45) KCNH2PRKAA2SCDHDAC3HDAC4
SCHEMBL1066722 0.76 ALDH1A1 (0.50) PRKAA2SCDHDAC3HDAC4HDAC1
SCHEMBL1065675 0.75 GPR6 (0.50) PRKAA2SCDALDH1A1TSHRMAPK1
SCHEMBL1067900 0.74 CHRM4 (0.55) KCNH2CHRM4HDAC3HDAC4HDAC1
SCHEMBL8292309 0.71 KCNH2 (0.76) KCNH2HDAC3HDAC1HDAC2
SCHEMBL4579334 0.69 HPGDS (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4198413 0.69 HDAC4 (0.71) KCNH2SCDHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868205-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-20080132459-A1 Inhibitors of Histone Deacetylase METHYLGENE, INC. (CA) 2008-06-05 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-20080132459-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC3 KCNH2 4025/4885PRKAA2 1439/4885SCD 1521/4885

“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.