SCHEMBL572811

SCHEMBL572811

CC(C)C(=O)NC1CCC(N)CC1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 14/20 0.62
KMT2A Q03164 1/20 0.40
FASN P49327 1/20 0.38

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
SCHEMBL10206026 1.00 SMYD3 (0.62) SMYD3KMT2AFASN
SCHEMBL572810 1.00 SMYD3 (0.62) SMYD3KMT2AFASN
Hydrochloric Acid SCHEMBL572762 0.98 SMYD3 (0.60) SMYD3KMT2AFASN
Hydrochloric Acid SCHEMBL572763 0.98 SMYD3 (0.60) SMYD3KMT2AFASN
SCHEMBL103477 0.89
SCHEMBL18880078 0.89 SMYD3 (0.47) SMYD3KMT2AFASN
SCHEMBL13625350 0.86 SMYD3 (0.60) SMYD3KMT2A
SCHEMBL3401705 0.86 SMYD3 (0.60) SMYD3KMT2A
SCHEMBL15480842 0.83 SMYD3 (0.43) SMYD3KMT2AFASN
SCHEMBL24996526 0.81 SMYD3 (0.64) SMYD3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2023-02-09 US disclosed
CN-105593224-A Novel quinazolinones as bromodomain inhibitors ZENITH EPIGENETICS CORP 2016-05-18 CN disclosed
US-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC (US) 2016-02-18 US disclosed
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. 2015-10-29 US disclosed
US-9115127-B2 Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC. (US) 2015-08-25 US disclosed
CN-104202982-A Modulating certain tyrosine kinases TESARO INC 2014-12-10 CN disclosed
EP-2779833-A1 MODULATING CERTAIN TYROSINE KINASES Tesaro Inc. (US) 2014-09-24 EP disclosed
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2013-08-22 US disclosed
EP-2611784-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-07-10 EP disclosed
CN-103168032-A Benzimidazole and azabenzimidazole compounds that inhibit anaplastic lymphoma kinase AMGEN INC 2013-06-19 CN disclosed
WO-2013074518-A1 MODULATING CERTAIN TYROSINE KINASES TESARO, INC. (US) 2013-05-23 WO disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
US-8293729-B2 Compounds, pharmaceutical composition and methods relating thereto BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-23 US disclosed
WO-2012018668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2012-02-09 WO disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
WO-2007125405-A2 SUBSTITUTED 2-AMINO-FUSED HETEROCYCLIC COMPOUNDS PFIZER PRODUCTS INC. (US) 2007-11-08 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-20160046625-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 SMYD3 1388/4885KMT2A 493/4885FASN 630/4885
US-20150306086-A1 MODULATING CERTAIN TYROSINE KINASES ABL1, LCK, FLT3 SMYD3 1704/4885KMT2A 818/4885FASN 4573/4885
US-20230041523-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE AND METABOLIC DISORDERS NLN, GLS, PRNP SMYD3 3594/4885KMT2A 3429/4885FASN 694/4885
US-20130217668-A1 BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE BCL6, DCK, FLI1 SMYD3 1388/4885KMT2A 493/4885FASN 630/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 SMYD3 4129/4885KMT2A 3551/4885FASN 1059/4885

“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.