SCHEMBL17543294

SCHEMBL17543294

COc1ccc(CN2C(=O)CCc3c(OCC4(C(=O)O)CCN(c5c(F)cc(F)cc5F)CC4)ccc(F)c32)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KCNH2 Q12809 3/20 0.34
▸ PTGDR2 Q9Y5Y4 3/20 0.34
▸ PTGER2 P43116 2/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ PDE3B Q13370 1/20 0.34
▸ PDE3A Q14432 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ CACNA1G O43497 1/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ CXCR3 P49682 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ BLM P54132 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17543879 0.95 KCNH2 (0.37) KDM4EHTTKCNH2PTGDR2PTGER2
SCHEMBL17544008 0.92 DDB1 (0.38) PTGDR2PTGER2NQO2PDE3BPDE3A
SCHEMBL17543832 0.91 KMT2A (0.40) HTTMEN1ALDH1A1KMT2AL3MBTL1
SCHEMBL17543601 0.91 KCNH2 (0.36) KDM4EHTTKCNH2PTGDR2PTGER2
SCHEMBL17542917 0.91 CHRM4 (0.38) KDM4EHTTKCNH2PTGDR2PTGER2
SCHEMBL17543461 0.90 CHRM4 (0.34) KDM4EHTTKCNH2PTGDR2PTGER2
SCHEMBL17542975 0.90 PTGDR2 (0.34) KDM4EHTTKCNH2PTGDR2PTGER2
SCHEMBL21048950 0.89 KCNH2 (0.33) KDM4EHTTKCNH2PTGDR2PTGER2
SCHEMBL17544173 0.89 PTGDR2 (0.35) KDM4EHTTKCNH2PTGDR2PTGER2
SCHEMBL17543335 0.89 PTGDR2 (0.39) KDM4EHTTKCNH2PTGDR2PTGER2

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 KDM4E 3721/4885HTT 3769/4885KCNH2 2221/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KDM4E 3721/4885HTT 3769/4885KCNH2 2221/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KDM4E 3721/4885HTT 3769/4885KCNH2 2221/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KDM4E 3721/4885HTT 3769/4885KCNH2 2221/4885

“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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