SCHEMBL17536571

SCHEMBL17536571

COC(=O)c1cc2[nH]ccc2cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.49
NR4A2 P43354 4/20 0.44
CTNNB1 P35222 2/20 0.44
WNT3A P56704 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ENPP2 Q13822 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43

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
SCHEMBL31412778 1.00 MAOB (0.49) MAOBNR4A2CTNNB1WNT3AKDM4E
SCHEMBL4493185 0.94 MAOB (0.49) MAOBNR4A2CTNNB1WNT3AKDM4E
SCHEMBL6421816 0.88 MAOB (0.52) MAOBNR4A2CTNNB1WNT3AKDM4E
SCHEMBL30801242 0.83 GPR84 (0.53) MAOBNR4A2CTNNB1WNT3APTPRC
SCHEMBL22507908 0.83 KDM4E (0.50) MAOBNR4A2KDM4EALDH1A1HPGD
SCHEMBL31512764 0.83 MAOB (0.48) MAOBNR4A2PTPRCPTPN2PTPN1
SCHEMBL6421819 0.83 PTPRC (0.55) MAOBNR4A2KDM4EALDH1A1HPGD
SCHEMBL20874844 0.83 NR4A2 (0.48) MAOBNR4A2MAOAPTPRCPTPN2
SCHEMBL12869677 0.83 MAOB (0.48) MAOBNR4A2CTNNB1WNT3AKDM4E
SCHEMBL28755309 0.83 PTPRC (0.55) MAOBNR4A2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES Clear Creek Bio, Inc. (US) 2025-01-23 US disclosed
WO-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 WO disclosed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS ESCAPE Bio, Inc. 2022-05-26 US disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 WO disclosed
WO-2020191261-A1 INDAZOLES AS LRRK2 INHIBITORS E-SCAPE BIO, INC. (US) 2020-09-24 WO disclosed
US-10125387-B2 Compounds, substrates and methods related to histone deacetylases THE BROAD INSTITUTE, INC. (US) 2018-11-13 US disclosed
US-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-02-22 US disclosed
US-9745613-B2 Compounds, substrates and methods related to histone deacetylases THE BROAD INSTITUTE, INC. (US) 2017-08-29 US disclosed
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 US 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-20180051314-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 MAOB 3885/4885NR4A2 1645/4885CTNNB1 3328/4885
US-10125387-B2 Compounds, substrates and methods related to histone deacetylases HDAC1, HDAC11, HDAC10 MAOB 3885/4885NR4A2 1645/4885CTNNB1 3328/4885
US-20160060679-A1 COMPOUNDS, SUBSTRATES AND METHODS RELATED TO HISTONE DEACETYLASES HDAC1, HDAC11, HDAC10 MAOB 3853/4885NR4A2 1772/4885CTNNB1 3313/4885
US-20250025443-A1 COMPOUNDS AND METHODS FOR TREATING CORONA VIRUSES ACE, PREP, PEPD MAOB 693/4885NR4A2 4104/4885CTNNB1 4770/4885
US-20220162192-A1 INDAZOLES AS LRRK2 INHIBITORS LRRK2, PARK7, PINK1 MAOB 1211/4885NR4A2 3621/4885CTNNB1 2597/4885

“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.