SCHEMBL12201883

SCHEMBL12201883

CC(C)(C)c1cccc(C(=O)NO)c1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 10/20 0.77
HDAC6 Q9UBN7 8/20 0.77
HDAC3 O15379 4/20 0.67
HDAC1 Q13547 2/20 0.63
ACHE P22303 3/20 0.59
KDM4E B2RXH2 1/20 0.56
EGLN2 Q96KS0 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
NR1H4 Q96RI1 1/20 0.55
HDAC11 Q96DB2 2/20 0.54

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
SCHEMBL10120025 0.85 HDAC8 (0.59) HDAC8HDAC6HDAC3ACHEMEN1
SCHEMBL13698098 0.84 ACHE (0.60) HDAC8HDAC6HDAC3ACHEKDM4E
SCHEMBL10197595 0.84 HDAC8 (0.57) HDAC8HDAC6HDAC3ACHEMEN1
SCHEMBL19254599 0.83 HDAC8 (0.57) HDAC8HDAC6HDAC3HDAC1KDM4E
SCHEMBL19254542 0.83 HDAC8 (0.57) HDAC8HDAC6HDAC3ACHEMEN1
SCHEMBL14880151 0.81 CES2 (0.67) HDAC8HDAC6HDAC3HDAC1MEN1
SCHEMBL12382433 0.81 HDAC8 (0.55) HDAC8HDAC6HDAC3ACHEMEN1
SCHEMBL13155121 0.81 ALDH1A1 (0.57) HDAC8HDAC6ACHEMEN1KMT2A
SCHEMBL14927309 0.81 HDAC8 (0.55) HDAC8HDAC6HDAC3ACHEMEN1
SCHEMBL15317677 0.81 NPSR1 (0.74) HDAC8HDAC6HDAC3ACHEMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2023-01-26 US disclosed
US-9732078-B2 Therapeutic use of imidazopyridine derivatives SANOFI (FR) 2017-08-15 US disclosed
US-9452164-B2 Imidazopyridine derivatives, process for preparation thereof and therapeutic use thereof SANOFI (FR) 2016-09-27 US disclosed
US-20140343054-A1 Therapeutic Use of Imidazopyridine Derivatives SANOFI (FR) 2014-11-20 US disclosed
US-20140243328-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2014-08-28 US disclosed
US-8759344-B2 Imidazopyridine derivatives, process for preparation thereof and therapeutic use thereof SANOFI (FR) 2014-06-24 US disclosed
US-20130116250-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-09 US disclosed
US-8034933-B2 graft v. host disease, arthritis, rheumatoid arthritis, inflammatory bowel disease, atopic dermatitis, psoriasis, asthma, allergies or multiple sclerosis; human immunodeficiency viricides SCHERING CORPORATION (US) 2011-10-11 US disclosed
US-7442703-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-10-28 US disclosed
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-09-04 US disclosed
US-7384948-B2 Piperidine derivatives useful as CCR5 antagonists SCHERING CORPORATION (US) 2008-06-10 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 (5 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-20230022696-A1 SMALL MOLECULE INHIBITORS OF AUTOPHAGY AND HISTONE DEACTYLASES AND USES THEREOF HDAC5, HDAC4, HDAC7 HDAC8 10/4885HDAC6 6/4885HDAC3 4/4885
US-20140243328-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CCNY, ENY2, PAH HDAC8 1160/4885HDAC6 958/4885HDAC3 304/4885
US-20140343054-A1 Therapeutic Use of Imidazopyridine Derivatives CCNY, UTS2R, WNK2 HDAC8 318/4885HDAC6 238/4885HDAC3 63/4885
US-20130116250-A1 IMIDAZOPYRIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CCNY, ENY2, PAH HDAC8 1160/4885HDAC6 958/4885HDAC3 304/4885
US-20080214575-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CCR10, CXCR3 HDAC8 2818/4885HDAC6 1164/4885HDAC3 1437/4885

“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.