SCHEMBL15522665

SCHEMBL15522665

CN(C)CCCOc1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.66
KDM4E B2RXH2 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
CYP1A2 P05177 1/20 0.66
CYP2D6 P10635 1/20 0.66
PDE4A P27815 1/20 0.66
HIF1A Q16665 1/20 0.66
HDAC10 Q969S8 1/20 0.66
HRH3 Q9Y5N1 3/20 0.60
HDAC3 O15379 2/20 0.54
ESR1 P03372 2/20 0.54
NCOR2 Q9Y618 2/20 0.54
HDAC1 Q13547 2/20 0.50
HDAC8 Q9BY41 2/20 0.50
LTB4R Q15722 3/20 0.48
LTB4R2 Q9NPC1 3/20 0.48
ALDH1A1 P00352 2/20 0.48
LTA4H P09960 1/20 0.47
LMNA P02545 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
SCHEMBL6837557 0.88 HDAC6 (0.70) HDAC6KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL12688087 0.82 HDAC6 (0.67) HDAC6KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL12688086 0.81 HDAC6 (0.68) HDAC6KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL15522589 0.81 SMN1; SMN2 (0.64) HDAC6KDM4ESMN1; SMN2CYP1A2CYP2D6
Bufexamac SCHEMBL25215 0.80 KDM4E (1.00) HDAC6KDM4ESMN1; SMN2CYP1A2CYP2D6
Bufexamac SCHEMBL5076113 0.80 KDM4E (1.00) HDAC6KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL4579963 0.79 HDAC6 (0.66) HDAC6KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL15522500 0.79 HTT (0.65) HDAC6KDM4ESMN1; SMN2CYP1A2CYP2D6
Bufexamac SCHEMBL15456779 0.79 KDM4E (0.97) HDAC6KDM4ESMN1; SMN2CYP1A2CYP2D6
SCHEMBL15522678 0.78 HDAC1 (0.74) HDAC6KDM4ESMN1; SMN2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 US claimed
WO-2014041424-A1 HISTONE DEACETYLASE INHIBITORS FOR ENHANCING ACTIVITY OF ANTIFUNGAL AGENTS METHYLGENE INC. (CA) 2014-03-20 WO claimed
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 US disclosed
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 US disclosed
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 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-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents HDAC1, HDAC5, HDAC7 HDAC6 10/4885KDM4E 141/4885SMN1; SMN2 4094/4885

“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.