SCHEMBL853606

SCHEMBL853606

CCOC(=O)c1ccc(CN)o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.57
MAPT P10636 5/20 0.57
KDM4E B2RXH2 5/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
POLB P06746 2/20 0.57
TLR2 O60603 1/20 0.57
NSD2 O96028 1/20 0.57
PKM P14618 1/20 0.57
MPI P34949 1/20 0.57
GRK6 P43250 1/20 0.57
RECQL P46063 1/20 0.57
TLR1 Q15399 1/20 0.57
TLR6 Q9Y2C9 1/20 0.57
HDAC4 P56524 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
LMNA P02545 3/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 5/20 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
Hydrochloric Acid SCHEMBL245313 0.98 ALDH1A1 (0.56) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL151035 0.86 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL6240522 0.84 ALDH1A1 (0.59) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL2093655 0.84 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL449698 0.83 HDAC4 (0.73) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL2181967 0.83 ALDH1A1 (0.57) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL13064782 0.83 ALDH1A1 (0.60) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL852957 0.83 ALDH1A1 (0.58) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL6445905 0.83 HDAC4 (0.59) ALDH1A1MAPTKDM4EL3MBTL1POLB
SCHEMBL4444107 0.82 HTT (0.73) ALDH1A1MAPTKDM4EPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2096111-A1 PYRAZOLES AND USE THEREOF AS DRUGS Japan Tobacco Inc. (JP) 2009-09-02 EP claimed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US claimed
US-12195472-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2025-01-14 US disclosed
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-02-09 US disclosed
US-11208415-B2 Substituted indole Mcl-1 inhibitors VANDERBILT UNIVERSITY (US) 2021-12-28 US disclosed
US-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease MITOKININ, INC. (US) 2021-04-15 US disclosed
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease MITOKININ LLC (US) 2020-12-01 US disclosed
CN-106456602-B Substituted indole MCL-1 inhibitors 范德比尔特大学 2020-11-24 CN disclosed
EP-3122353-B1 SUBSTITUTED INDOLE MCL-1 INHIBITORS UNIV VANDERBILT (US) 2020-10-28 EP disclosed
US-20200223851-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ, INC. 2020-07-16 US disclosed
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2020-05-07 US disclosed
US-20090156615-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-06-18 US disclosed
EP-2029572-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2009-03-04 EP disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF JAPAN TOBACCO, INC. (JP) 2009-02-05 US disclosed
WO-2007143597-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-12-13 WO disclosed
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-04-24 US disclosed
EP-1292585-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
WO-2001098282-A1 BENZOXAZEPINONES AND THEIR USE AS SQUALENE SYNTHASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 2001-12-27 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-20090156615-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 ALDH1A1 451/4885MAPT 2947/4885KDM4E 683/4885
US-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease NLN, NME4, COQ8A ALDH1A1 1829/4885MAPT 241/4885KDM4E 3598/4885
US-20200140447-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 ALDH1A1 1900/4885MAPT 3014/4885KDM4E 814/4885
US-20230039309-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 ALDH1A1 1900/4885MAPT 3014/4885KDM4E 814/4885
US-20090036450-A1 PYRAZOLE COMPOUNDS AND USE THEREOF PYGL, GYS2, G6PC1 ALDH1A1 775/4885MAPT 2112/4885KDM4E 1955/4885
US-20200223851-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, CKMT1A; CKMT1B ALDH1A1 1361/4885MAPT 119/4885KDM4E 3587/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A ALDH1A1 1829/4885MAPT 241/4885KDM4E 3598/4885
US-12195472-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 ALDH1A1 1900/4885MAPT 3014/4885KDM4E 814/4885
US-20030078251-A1 Benzoxazepinones and their use as squalene synthase inhibitors SQLE, CYP17A1, ACOX1 ALDH1A1 1026/4885MAPT 4824/4885KDM4E 1236/4885
US-11208415-B2 Substituted indole Mcl-1 inhibitors MCL1, BCL2L1, BCL3 ALDH1A1 1900/4885MAPT 3014/4885KDM4E 814/4885

“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.