SCHEMBL893099

SCHEMBL893099

NC(=O)c1coc(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 1.00
HDAC1 Q13547 8/20 0.66
HDAC8 Q9BY41 8/20 0.66
HDAC6 Q9UBN7 8/20 0.66
PDE4B Q07343 3/20 0.56
IKBKB O14920 1/20 0.50
KDM4E B2RXH2 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
HSD17B10 Q99714 1/20 0.45
PTPN1 P18031 1/20 0.45

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
SCHEMBL27768646 0.85 ALDH1A1 (0.74) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL287420 0.85 ALDH1A1 (0.74) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL21689255 0.84 ALDH1A1 (0.73) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL27808017 0.84 ALDH1A1 (0.73) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL27721487 0.84 ALDH1A1 (0.73) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL168220 0.83 ALDH1A1 (0.71) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL28033118 0.83 ALDH1A1 (0.71) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL30090095 0.82 ALDH1A1 (0.69) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL31661941 0.82 ALDH1A1 (0.69) ALDH1A1HDAC1HDAC8HDAC6PDE4B
SCHEMBL6706804 0.82 ALDH1A1 (0.70) ALDH1A1HDAC1HDAC8HDAC6PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119768164-A Pharmaceutical compounds for treating complement-mediated disorders 阿雷克森制药公司 2025-04-04 CN disclosed
EP-4200284-A1 LMO2 PROTEIN INHIBITORS University of Oxford (GB) 2023-06-28 EP disclosed
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS Frequency Therapeutics, Inc. (US) 2022-05-05 US disclosed
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound FUJIFILM CORPORATION (JP) 2022-05-03 US disclosed
WO-2022038356-A1 LMO2 PROTEIN INHIBITORS UNIVERSITY OF OXFORD (GB) 2022-02-24 WO disclosed
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM CORPORATION (JP) 2020-02-06 US 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
EP-2822944-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN, INC. (US) 2015-01-14 EP disclosed
US-8729270-B2 Anti-cancer compounds, synthesis thereof, and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-05-20 US disclosed
US-8729270-B2 Anti-cancer compounds, synthesis thereof, and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2014-05-20 US disclosed
EP-2649068-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2013-10-16 EP disclosed
WO-2013134079-A1 OXAZOLIDINONE COMPOUNDS AND DERIVATIVES THEREOF AMGEN INC. (US) 2013-09-12 WO disclosed
US-20120289704-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-11-15 US disclosed
US-20120289704-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-11-15 US disclosed
US-20120289704-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-11-15 US disclosed
US-8268874-B2 Anti-cancer compounds, synthesis thereof, and methods of using same UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-09-18 US disclosed
WO-2012077049-A1 OXAZOLYL-METHYLETHER DERIVATIVES AS ALX RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2012-06-14 WO 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
US-20110021574-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-01-27 US disclosed
WO-2009111502-A2 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME UNIVERSITY OF NOTRE DAME DU LAC (US) 2009-09-11 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 (7 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 ALDH1A1 2395/4885HDAC1 2284/4885HDAC8 1575/4885
US-20200040039-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND VIP, NPPA, NGLY1 ALDH1A1 4809/4885HDAC1 4286/4885HDAC8 4140/4885
US-20110021574-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME MCL1, BRDT, GLS ALDH1A1 569/4885HDAC1 1633/4885HDAC8 691/4885
US-20190054068-A1 Indole Amide Derivatives and Related Compounds for Use in the Treatment of Neurodegenerative Diseases SNCA, MAPT, NLN ALDH1A1 2395/4885HDAC1 2284/4885HDAC8 1575/4885
US-20120289704-A1 ANTI-CANCER COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME MCL1, BRDT, GLS ALDH1A1 569/4885HDAC1 1633/4885HDAC8 691/4885
US-11319347-B2 Peptide compound and method for producing same, composition for screening use, and method for selecting peptide compound VIP, NPPA, NGLY1 ALDH1A1 4809/4885HDAC1 4286/4885HDAC8 4140/4885
US-20220133740-A1 VALPROIC ACID COMPOUNDS AND WNT AGONISTS FOR TREATING EAR DISORDERS WNT3A, WNT1, WNT3 ALDH1A1 455/4885HDAC1 226/4885HDAC8 480/4885

“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.