SCHEMBL892659

SCHEMBL892659

CC(C)(C)OC(=O)Nc1cc(C(=O)O)no1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.53
ALDH1A1 P00352 4/20 0.41
HDAC1 Q13547 7/20 0.39
HDAC6 Q9UBN7 7/20 0.39
HDAC3 O15379 5/20 0.39
HDAC10 Q969S8 4/20 0.39
HDAC2 Q92769 4/20 0.37
HDAC8 Q9BY41 4/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
PSMB8 P28062 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL5319788 0.83 ALDH1A1 (0.54) SCDALDH1A1HDAC1HDAC6HDAC3
SCHEMBL892677 0.81 SCD (0.48) SCDALDH1A1HDAC1HDAC6HDAC3
SCHEMBL12590876 0.78 KMT2A (0.45) SCDALDH1A1MAPTHPGDCA1
SCHEMBL4203152 0.78 KMT2A (0.45) SCDALDH1A1MAPTHPGDCA1
SCHEMBL2058770 0.78 KMT2A (0.45) SCDALDH1A1MAPTHPGDCA1
SCHEMBL24959797 0.77 SCD (0.44) SCDALDH1A1HDAC1HDAC6HDAC3
SCHEMBL13391436 0.77 ALDH1A1 (0.47) SCDALDH1A1HDAC1HDAC6HDAC3
SCHEMBL2185599 0.77 CNR2 (0.51) SCDALDH1A1MAPK14
SCHEMBL28192538 0.76 HDAC1 (0.65) SCDALDH1A1HDAC1HDAC6HDAC3
SCHEMBL25170938 0.75 HCAR2 (0.46) SCDHDAC1HDAC6HDAC3HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3190109-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2020-02-19 EP disclosed
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases REMYND (BE) 2019-02-21 US disclosed
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2018-11-06 US disclosed
EP-3190109-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven (BE) 2017-07-12 EP disclosed
EP-2440550-B1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES UNIV LEUVEN KATH (BE) 2017-03-15 EP disclosed
US-20160324828-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2016-11-10 US disclosed
US-9434722-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2016-09-06 US disclosed
US-20140066457-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES REMYND (BE) 2014-03-06 US disclosed
US-8618138-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2013-12-31 US disclosed
EP-2440550-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2012-04-18 EP disclosed
US-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2012-04-05 US disclosed
WO-2010142801-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2010-12-16 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 (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-20120083475-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN SCD 425/4885ALDH1A1 2395/4885HDAC1 2284/4885
US-20140066457-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN SCD 440/4885ALDH1A1 2404/4885HDAC1 2216/4885
US-20160324828-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN SCD 440/4885ALDH1A1 2404/4885HDAC1 2216/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN SCD 425/4885ALDH1A1 2395/4885HDAC1 2284/4885
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases SNCA, MAPT, NLN SCD 440/4885ALDH1A1 2404/4885HDAC1 2216/4885

“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.