Sugi Predict

Sugi Predict / Compounds / SCHEMBL15549047

SCHEMBL15549047

SCHEMBL15549047

Cc1cnc(-c2ccc([C@]3(C)[C@H](c4ccccc4)[C@@]3(Cl)C(=O)O)cc2)nc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 17/20 0.55
▸ HDAC3 O15379 2/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC7 Q8WUI4 2/20 0.37
▸ HDAC8 Q9BY41 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC9 Q9UKV0 2/20 0.37
▸ HDAC5 Q9UQL6 2/20 0.37
▸ NCOR2 Q9Y618 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ RAB9A P51151 1/20 0.32

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
SCHEMBL15547722 0.76 RORC (0.42) HDAC4ALDH1A1MAPTLMNAMAPK1
SCHEMBL15547318 0.76 HDAC4 (0.55) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL15606848 0.76 HDAC4 (0.74) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL12498065 0.76 HDAC4 (0.77) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL15769042 0.74 HDAC4 (0.56) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL15548495 0.72 HDAC4 (0.77) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL15557808 0.72 HDAC4 (0.77) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL16912918 0.71 HDAC4 (1.00) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL15606853 0.71 HDAC4 (1.00) HDAC4HDAC3HDAC1HDAC7HDAC8
SCHEMBL16922866 0.71 HDAC4 (0.74) HDAC4HDAC3HDAC1HDAC7HDAC8

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 10/4885HDAC3 5/4885HDAC1 1/4885
US-20150203468-A1 HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF HDAC1, HDAC7, HDAC5 HDAC4 10/4885HDAC3 5/4885HDAC1 1/4885

“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.