SCHEMBL15768490

SCHEMBL15768490

CCOC(=O)[C@@H]1[C@H](c2ccccc2)[C@H]1c1cccc(-c2ncc(F)cn2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.65
HDAC3 O15379 3/20 0.65
HDAC7 Q8WUI4 3/20 0.65
HDAC8 Q9BY41 3/20 0.65
HDAC6 Q9UBN7 3/20 0.65
HDAC9 Q9UKV0 3/20 0.65
HDAC5 Q9UQL6 3/20 0.65
HDAC1 Q13547 2/20 0.51
NCOR2 Q9Y618 2/20 0.51
FABP7 O15540 2/20 0.42
FABP5 Q01469 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41
PPARG P37231 3/20 0.40
CSNK1D P48730 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL15768960 0.91 HDAC4 (0.68) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12499288 0.79 HDAC4 (1.00) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL12499286 0.79 HDAC4 (1.00) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL15769121 0.79 HDAC4 (1.00) HDAC4HDAC3HDAC7HDAC8HDAC6
SCHEMBL5122894 0.78 TSHR (0.60) FABP7FABP5TP53PPARGMEN1
SCHEMBL14276798 0.78 TSHR (0.60) FABP7FABP5TP53PPARGMEN1
SCHEMBL15768916 0.77 HDAC4 (0.66) HDAC4HDAC3HDAC7HDAC8HDAC9
SCHEMBL15768562 0.77 HDAC4 (0.61) HDAC4FABP7FABP5ALDH1A1MAPT
SCHEMBL18462855 0.75 GAA (0.63) FABP7FABP5ALDH1A1MAPTTP53
SCHEMBL18418086 0.75 GAA (0.63) FABP7FABP5ALDH1A1MAPTTP53

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.