SCHEMBL14322408

SCHEMBL14322408

COc1cccn(Cc2ccc(-c3ccncc3)cc2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDE5A O76074 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ GRK2 P25098 1/20 0.43
▸ ITGB1 P05556 1/20 0.42
▸ ITGA4 P13612 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ HCRTR1 O43613 2/20 0.42
▸ HCRTR2 O43614 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42

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
SCHEMBL14323729 0.84 HDAC8 (0.65) HDAC8HDAC6PDE5AHCRTR1HCRTR2
SCHEMBL16199218 0.81 LMNA (0.70) LMNAKDM4ESMN1; SMN2MAPTTP53
SCHEMBL14324139 0.81 LMNA (0.57) LMNAKDM4ESMN1; SMN2MAPTTP53
SCHEMBL14322593 0.80 LMNA (0.53) HDAC8HDAC6LMNAKDM4EMAPT
SCHEMBL14322853 0.79 HDAC8 (0.70) HDAC8HDAC6KDM4EHTTSMN1; SMN2
SCHEMBL27383530 0.72 MAPT (0.65) LMNAMAPTTP53CYP11B1CYP11B2
SCHEMBL30799051 0.71 CNR1 (0.51) HDAC8HDAC6LMNAKDM4EMAPT
SCHEMBL11824740 0.71 ALDH1A1 (0.44) LMNAMAPTALDH1A1
SCHEMBL13572912 0.70 ALDH1A1 (0.43) LMNAKDM4ESMN1; SMN2MAPTMEN1
SCHEMBL16509712 0.68 NPC1 (0.53) LMNASMN1; SMN2ALDH1A1GRM2

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-8871728-B2 Non-peptide macrocyclic histone deacetylese (HDAC) inhibitors and methods of making and using thereof GEORGIA TECH RESEARCH CORPORATION (US) 2014-10-28 — — US disclosed
US-20120329741-A1 NON-PEPTIDE MACROCYCLIC HISTONE DEACETYLASE (HDAC) INHIBITORS AND METHODS OF MAKING AND USING THEREOF GEORGIA TECH RESEARCH CORPORATION 2012-12-27 — — 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-20120329741-A1 NON-PEPTIDE MACROCYCLIC HISTONE DEACETYLASE (HDAC) INHIBITORS AND METHODS OF MAKING AND USING THEREOF HDAC5, HDAC3, HDAC1 HDAC8 9/4885HDAC6 11/4885LMNA 3205/4885

“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.

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