SCHEMBL17543189

SCHEMBL17543189

COc1ccc(CN2C(=O)CCc3c(OS(=O)(=O)C(F)(F)F)cc(F)c(F)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 3/20 0.39
▸ CMA1 P23946 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ BLM P54132 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ HCRTR1 O43613 2/20 0.37
▸ HCRTR2 O43614 2/20 0.37
▸ PARK7 Q99497 1/20 0.36
▸ GRM2 Q14416 2/20 0.36
▸ CASP3 P42574 2/20 0.35
▸ APAF1 O14727 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35

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
SCHEMBL17543578 0.88 CMA1 (0.40) CHRM5CMA1MEN1KMT2AALDH1A1
SCHEMBL17543429 0.84 CHRM5 (0.43) CHRM5CMA1MEN1KMT2AALDH1A1
SCHEMBL17544118 0.84 CMA1 (0.42) CHRM5CMA1MEN1KMT2AALDH1A1
SCHEMBL17543089 0.80 CMA1 (0.45) CHRM5CMA1MEN1KMT2AALDH1A1
SCHEMBL17543436 0.80 CMA1 (0.45) CHRM5CMA1MEN1KMT2AALDH1A1
SCHEMBL17542839 0.75 KDM4E (0.42) CMA1MEN1KMT2AALDH1A1BLM
SCHEMBL17542643 0.73 CMA1 (0.44) CHRM5CMA1MEN1KMT2AALDH1A1
SCHEMBL17543635 0.73 CMA1 (0.44) CHRM5CMA1MEN1KMT2AALDH1A1
SCHEMBL97203 0.73 CHRM5 (0.42) CHRM5HCRTR1HCRTR2
SCHEMBL17542799 0.72 GHSR (0.33) CHRM5MEN1KMT2AALDH1A1BLM

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 CHRM5 1356/4885CMA1 4673/4885MEN1 2793/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD CHRM5 1356/4885CMA1 4673/4885MEN1 2793/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRM5 1356/4885CMA1 4673/4885MEN1 2793/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRM5 1356/4885CMA1 4673/4885MEN1 2793/4885

“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.

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