SCHEMBL893061

SCHEMBL893061

CC(C)(C)c1cc(C(=O)Cl)n(Cc2ccccc2)n1

nearest known ligand 0.82

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRN P28799 5/20 0.82
SORT1 Q99523 5/20 0.82
NPSR1 Q6W5P4 7/20 0.66
GAA P10253 5/20 0.63
MAPT P10636 5/20 0.63
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 3/20 0.63
AGTR1 P30556 1/20 0.63
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
KCNH2 Q12809 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
RECQL P46063 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 1/20 0.53

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
SCHEMBL3069753 0.90 GRN (1.00) GRNSORT1NPSR1GAAMAPT
SCHEMBL13219146 0.89 GRN (0.82) GRNSORT1NPSR1GAAMAPT
SCHEMBL1897360 0.87 GRN (0.80) GRNSORT1NPSR1GAAMAPT
SCHEMBL6925308 0.85 GRN (0.76) GRNSORT1NPSR1GAAMAPT
SCHEMBL25346695 0.83 GRN (0.72) GRNSORT1NPSR1GAAMAPT
SCHEMBL1897764 0.83 GRN (0.72) GRNSORT1NPSR1GAAMAPT
SCHEMBL1898164 0.83 NPSR1 (0.89) GRNSORT1NPSR1GAAMAPT
SCHEMBL17648439 0.82 GRN (0.56) GRNSORT1NPSR1GAAMAPT
SCHEMBL1902248 0.81 NPSR1 (0.71) GRNSORT1NPSR1GAAMAPT
SCHEMBL5906753 0.80 GRN (0.52) GRNSORT1NPSR1GAAMAPT

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 67 patents — showing the first 20. 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-8841334-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2014-09-23 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
US-6004957-A VIRICIDES FOR HUMAN T-CELL LEUKEMIA/LYMPHOMA VIRUS VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-12-21 US disclosed
US-5977137-A Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-11-02 US disclosed
WO-1999048868-A2 HETEROCYCLIC CLASSES OF COMPOUNDS FOR THE MODULATING TYROSINE PROTEIN KINASE SUGEN, INC. (US) 1999-09-30 WO disclosed
US-5856353-A Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS, INCORPORATED (US) 1999-01-05 US disclosed
EP-0885887-A2 Sulfonamide inhibitors of HIV-Aspartyl protease Vertex Pharmaceuticals Incorporated (US) 1998-12-23 EP disclosed
US-5783701-A ANTI-HIV VIRICIDES VERTEX PHARMACEUTICALS, INCORPORATED (US) 1998-07-21 US disclosed
US-5585397-A VIRICIDES VERTEX PHARMACEUTICALS, INCORPORATED (US) 1996-12-17 US disclosed
EP-0659181-A1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-06-28 EP disclosed
CN-1087347-A The new sulfonamide inhibitors of aspartyl protease VERTEX PHARMA (US) 1994-06-01 CN disclosed
WO-1994005639-A1 SULFONAMIDE INHIBITORS OF HIV-ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED (US) 1994-03-17 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 (4 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-20140066457-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN GRN 78/4885SORT1 2734/4885NPSR1 645/4885
US-20160324828-A1 INDOLE AMIDE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, MAPT, NLN GRN 78/4885SORT1 2734/4885NPSR1 645/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN GRN 78/4885SORT1 2651/4885NPSR1 655/4885
US-10117850-B2 Indole amide derivatives and related compounds for use in the treatment of neurodegenerative diseases SNCA, MAPT, NLN GRN 78/4885SORT1 2734/4885NPSR1 645/4885

“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.