SCHEMBL17544121

SCHEMBL17544121

COc1ccc(CN2C(=O)CCc3c(CCC4(O)CCN(c5c(F)cc(Cl)cc5F)CC4)ccc(F)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ BLM P54132 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ CMA1 P23946 1/20 0.33
▸ CHRM5 P08912 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ GSK3A P49840 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ DPP4 P27487 1/20 0.32

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
SCHEMBL17543056 0.85 KCNH2 (0.36) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17542769 0.81 GRM2 (0.34) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17543313 0.81 KCNH2 (0.34) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17542928 0.80 KCNH2 (0.35) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17542714 0.80 ALDH1A1 (0.34) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17543879 0.78 KCNH2 (0.37) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17543033 0.77 GRM2 (0.33) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17543155 0.77 MAPT (0.33) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17543007 0.77 PTGDR2 (0.37) MEN1ALDH1A1KMT2ABLML3MBTL1
SCHEMBL17542953 0.76 KMT2A (0.40) MEN1ALDH1A1KMT2AL3MBTL1KCNH2

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 MEN1 2793/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD MEN1 2793/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MEN1 2793/4885ALDH1A1 1458/4885KMT2A 2525/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD MEN1 2793/4885ALDH1A1 1458/4885KMT2A 2525/4885

“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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