SCHEMBL15768649

SCHEMBL15768649

CCOC(=O)[C@@H]1[C@H](c2ccc(F)cc2)[C@H]1c1ccnc(C2CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 4/20 0.65
HDAC3 O15379 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FABP7 O15540 1/20 0.38
FABP5 Q01469 1/20 0.38
TP53 P04637 1/20 0.38
TRPC3 Q13507 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TRPC7 Q9HCX4 1/20 0.38

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
SCHEMBL15768731 0.89 HDAC4 (0.66) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15607015 0.88 HDAC4 (0.63) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768520 0.85 HDAC4 (0.67) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768945 0.82 HDAC4 (0.50) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL29485540 0.81 FABP7 (0.51) KDM4ELMNAMAPTNPSR1FABP7
SCHEMBL15768612 0.79 HDAC4 (1.00) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12694601 0.73 HDAC4 (0.66) HDAC4KDM4ELMNAHPGDMAPT
SCHEMBL12498904 0.73 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15768652 0.73 HDAC4 (0.56) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL2576946 0.72 SHMT2 (0.44) KDM4EHPGDALDH1A1

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-9765054-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2017-09-19 US disclosed
US-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation (US) 2014-06-12 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-20140163009-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885HDAC3 5/4885HDAC7 2/4885

“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.