SCHEMBL14323053

SCHEMBL14323053

CCCCCCC(c1cn(-c2ccccc2)nn1)n1cccc(O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ PNKP Q96T60 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DDX3X O00571 2/20 0.35
▸ NOTUM Q6P988 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PTGS2 P35354 2/20 0.33
▸ ESRRA P11474 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ AGTR1 P30556 1/20 0.33

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
SCHEMBL14323753 0.99 HDAC8 (0.39) HDAC8MEN1KMT2ANPSR1MIF
SCHEMBL14322137 0.96 HDAC8 (0.40) HDAC8MIFPNKPMAPTDDX3X
SCHEMBL14324226 0.92 HDAC8 (0.41) HDAC8MAPTDDX3XNOTUML3MBTL1
SCHEMBL14322336 0.88 HDAC8 (0.48) HDAC8MIFPNKPMAPTDDX3X
SCHEMBL14323955 0.87 HDAC8 (0.43) HDAC8MIFNOTUML3MBTL1PTGS2
SCHEMBL14322906 0.87 HDAC8 (0.49) HDAC8MIFPNKPMAPTDDX3X
SCHEMBL14324088 0.85 DDX3X (0.37) HDAC8MEN1KMT2ADDX3XESRRA
SCHEMBL14323929 0.83 HDAC8 (0.50) HDAC8KMT2AMIFMAPTDDX3X
SCHEMBL14323972 0.83 FLT3 (0.35) HDAC8MAPTDDX3XL3MBTL1PTGS2
SCHEMBL14323391 0.79 HDAC8 (0.43) HDAC8MIFNOTUML3MBTL1PTGS2

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 9/4885MEN1 2743/4885KMT2A 294/4885

“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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