SCHEMBL15547372

SCHEMBL15547372

O=C(O)C1C(c2ccccc2)C1c1ccc(-c2cnc(C3CC3)o2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 7/20 0.79
CYP2C9 P11712 2/20 0.79
NPC1 O15118 2/20 0.53
CA12 O43570 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
CA9 Q16790 2/20 0.51
TP53 P04637 3/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 3/20 0.46
AGTR2 P50052 1/20 0.46
PAX8 Q06710 1/20 0.46
NR2F2 P24468 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC3 O15379 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL12498656 0.88 HDAC4 (1.00) HDAC4CYP2C9HDAC3CYP2D6CYP2C19
SCHEMBL15606859 0.84 HDAC4 (0.67) HDAC4CYP2C9NPC1CA12CA1
SCHEMBL19366465 0.83 HDAC4 (0.65) HDAC4CYP2C9NPC1CA12CA1
SCHEMBL406907 0.80 CYP2C9 (0.58) HDAC4CYP2C9NPC1CA12CA1
SCHEMBL437870 0.80 CYP2C9 (0.58) HDAC4CYP2C9NPC1CA12CA1
SCHEMBL15547904 0.80 HDAC4 (0.61) HDAC4CYP2C9NPC1CA12CA1
SCHEMBL19399052 0.79 NPC1 (0.62) HDAC4CYP2C9NPC1CA12CA1
SCHEMBL12498586 0.77 HDAC4 (0.61) HDAC4CYP2C9NPC1CA12CA1
SCHEMBL15769037 0.77 HDAC4 (0.61) HDAC4CYP2C9NPC1CA12CA1
SCHEMBL15606864 0.76 HDAC4 (0.66) HDAC4CYP2C9NPC1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9855267-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2018-01-02 US disclosed
US-20170042892-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2017-02-16 US disclosed
US-9505736-B2 Histone deacetylase inhibitors and compositions and methods of use thereof CHDI FOUNDATION, INC. (US) 2016-11-29 US disclosed
US-20150203468-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. 2015-07-23 US disclosed
EP-2871955-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI Foundation, Inc. (US) 2015-05-20 EP disclosed
WO-2014014900-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2014-01-23 WO 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 (2 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-20170042892-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885CYP2C9 3154/4885NPC1 1393/4885
US-20150203468-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885CYP2C9 3154/4885NPC1 1393/4885

“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.