SCHEMBL17543503

SCHEMBL17543503

C=Cc1c(F)cc(OC)c2c1NC(=O)CC2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.32
NCOA3 Q9Y6Q9 1/20 0.32
TDP2 O95551 1/20 0.32
ADRB3 P13945 1/20 0.31
KIT P10721 1/20 0.31
KDR P35968 1/20 0.31
SRD5A1 P18405 1/20 0.30

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
SCHEMBL17543016 0.81 NCOA1 (0.35) NCOA1NCOA3TDP2ADRB3KIT
SCHEMBL17543602 0.80 NCOA1 (0.34) NCOA1NCOA3TDP2ADRB3SRD5A1
SCHEMBL17542802 0.80 PDE3B (0.35) NCOA1NCOA3TDP2ADRB3KIT
SCHEMBL17544166 0.79 SRD5A1 (0.35) NCOA1NCOA3TDP2SRD5A1
SCHEMBL17542684 0.79 KDM4E (0.35) NCOA1NCOA3TDP2SRD5A1
SCHEMBL17543001 0.74 BRD4 (0.34) NCOA1NCOA3TDP2ADRB3KIT
SCHEMBL17543765 0.74 KDM4E (0.45) TDP2ADRB3SRD5A1
SCHEMBL17542872 0.73 ADRB3 (0.37) ADRB3
SCHEMBL17543283 0.73 CRBN (0.33) NCOA1NCOA3TDP2ADRB3KIT
SCHEMBL17542678 0.73 KDM4E (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795117-B Heterobicyclic compounds and their use for the treatment of tuberculosis 大塚制药株式会社 2020-06-26 CN disclosed
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-11-05 US disclosed
EP-3186240-B1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2019-06-12 EP disclosed
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-11-01 US disclosed
US-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-08-21 US disclosed
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-09-07 US disclosed
EP-3186240-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS Otsuka Pharmaceutical Co., Ltd. (JP) 2017-07-05 EP disclosed
WO-2016031255-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-03-03 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 (4 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-10053446-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD NCOA1 1287/4885NCOA3 2821/4885TDP2 4736/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD NCOA1 1287/4885NCOA3 2821/4885TDP2 4736/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD NCOA1 1287/4885NCOA3 2821/4885TDP2 4736/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD NCOA1 1287/4885NCOA3 2821/4885TDP2 4736/4885

“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.