SCHEMBL4549800

SCHEMBL4549800

CC(C)(C)OC(=O)NNC(=O)Cc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
APLNR P35414 1/20 0.51
GAA P10253 3/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 2/20 0.47
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
MEN1 O00255 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL18673195 0.86 HPGD (0.54) APLNRGAAHTTSMN1; SMN2LMNA
SCHEMBL27099061 0.86 HTT (0.50) KDM4EAPLNRGAAHTTTDP1
SCHEMBL1431992 0.86 ALDH1A1 (0.50) KDM4EAPLNRGAAHTTSMN1; SMN2
SCHEMBL15829741 0.85 GAA (0.50) KDM4EAPLNRGAATDP1SMN1; SMN2
SCHEMBL2068949 0.85 GAA (0.49) KDM4EAPLNRGAAHTTTDP1
SCHEMBL4317497 0.85 HTT (0.49) KDM4EAPLNRGAAHTTTDP1
SCHEMBL26196694 0.85 ALDH1A1 (0.63) APLNRGAAHTTSMN1; SMN2LMNA
SCHEMBL26196749 0.85 APLNR (0.51) KDM4EAPLNRGAAHTTLMNA
SCHEMBL13580096 0.85 HTT (0.49) KDM4EAPLNRGAAHTTTDP1
SCHEMBL16638802 0.85 KDM4E (0.48) KDM4EGAAHTTTDP1SMN1; SMN2

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2024-02-27 US disclosed
EP-3634406-B1 3,4,5-TRISUBSTITUTED-1,2,4-TRIAZOLES AND 3,4,5-TRISUBSTITUTED-3-THIO-1,2,4-TRIAZOLES AND USES THEREOF BOARD OF TRUSTEES OF THE SOUTHERN ILLINOIS UNIV ON BEHALF OF SOUTHERN ILLINOIS UNIV EDWARDSVILLE (US) 2023-09-06 EP disclosed
EP-3634406-B1 3,4,5-TRISUBSTITUTED-1,2,4-TRIAZOLES AND 3,4,5-TRISUBSTITUTED-3-THIO-1,2,4-TRIAZOLES AND USES THEREOF BOARD OF TRUSTEES OF THE SOUTHERN ILLINOIS UNIV ON BEHALF OF SOUTHERN ILLINOIS UNIV EDWARDSVILLE (US) 2023-09-06 EP disclosed
US-20230043400-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2023-02-09 US disclosed
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof Board of Trustees of the Southern Illinois University (US) 2022-01-06 US disclosed
US-11136312-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2021-10-05 US disclosed
US-11136312-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof Board of Trustees of the Southern Illinois University (US) 2021-10-05 US disclosed
US-20200317691-A1 Compounds, Compositions and Methods DENALI THERAPEUTICS INC. (US) 2020-10-08 US disclosed
US-20200165230-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-05-28 US disclosed
US-20150329539-A1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-11-19 US disclosed
US-20150183782-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV MORGAN STANLEY SENIOR FUNDING, INC. 2015-07-02 US disclosed
WO-2015095258-A1 SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015089847-A1 SPIROCYCLIC HETEROCYCLE COMPOUNDS USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
US-8987272-B2 Compounds and method for treatment of HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2015-03-24 US disclosed
WO-2014099586-A1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-06-26 WO disclosed
US-20130217693-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2013-08-22 US disclosed
EP-2540720-A1 1,3,4,8-TETRAHYDRO-2H-PYRIDO[1,2-A]PYRAZINE DERIVATIVE AND USE OF SAME AS HIV INTEGRASE INHIBITOR Japan Tobacco, Inc. (JP) 2013-01-02 EP disclosed
US-20120108564-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor JAPAN TOBACCO INC. (JP) 2012-05-03 US disclosed
WO-2011120153-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV CRITICAL OUTCOME TECHNOLOGIES INC. (CA) 2011-10-06 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 (10 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-20200317691-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB KDM4E 1466/4885APLNR 3948/4885GAA 2016/4885
US-20200165230-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof SSTR4, SSTR3, SSTR5 KDM4E 2603/4885APLNR 331/4885GAA 3125/4885
US-20120108564-A1 1,3,4,8-Tetrahydro-2H-Pyrido[1,2-a]Pyradine Derivatives and Use Thereof as HIV Integrase Inhibitor IMPDH1, IMPA1, DPYD KDM4E 735/4885APLNR 4852/4885GAA 2362/4885
US-20230043400-A1 Compounds, Compositions and Methods PIK3CA, PLK1, PIK3CB KDM4E 1466/4885APLNR 3948/4885GAA 2016/4885
US-20130217693-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV NNT, CCR5, XDH KDM4E 2192/4885APLNR 4659/4885GAA 1770/4885
US-11136312-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR3, SSTR5 KDM4E 2603/4885APLNR 331/4885GAA 3125/4885
US-20220002274-A1 3,4,5-Trisubstituted-1,2,4-Triazoles and 3,4,5-Trisubstituted-3-Thio-1,2,4-Triazoles and Uses Thereof SSTR4, SSTR3, SSTR5 KDM4E 2603/4885APLNR 331/4885GAA 3125/4885
US-20150183782-A1 COMPOUNDS AND METHOD FOR TREATMENT OF HIV NNT, CCR5, XDH KDM4E 2192/4885APLNR 4659/4885GAA 1770/4885
US-11912687-B2 3,4,5-trisubstituted-1,2,4-triazoles and 3,4,5-trisubstituted-3-thio-1,2,4-triazoles and uses thereof SSTR4, SSTR5, SSTR3 KDM4E 2801/4885APLNR 407/4885GAA 2970/4885
US-20150329539-A1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS TYMP, TYMS, PNPO KDM4E 220/4885APLNR 4826/4885GAA 2471/4885

“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.