SCHEMBL17543797

SCHEMBL17543797

COc1ccc(CN2C(=O)CCc3c(NCC4(O)CCN(c5c(F)cc(F)cc5F)CC4)ccc(Cl)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRM5 P08912 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ BLM P54132 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ GRM2 Q14416 2/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP13 P45452 2/20 0.32
▸ ADAM17 P78536 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ METAP2 P50579 2/20 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
SCHEMBL17542928 0.95 KCNH2 (0.35) CHRM5ALDH1A1MEN1KMT2ABLM
SCHEMBL17542714 0.94 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ABLML3MBTL1
SCHEMBL17543155 0.92 MAPT (0.33) CHRM5ALDH1A1MEN1KMT2ABLM
SCHEMBL17543056 0.91 KCNH2 (0.36) CHRM5ALDH1A1MEN1KMT2ABLM
SCHEMBL17543632 0.89 CHRM5 (0.34) CHRM5ALDH1A1MEN1KMT2ABLM
SCHEMBL17543480 0.89 CHRM5 (0.34) CHRM5ALDH1A1MEN1KMT2ABLM
SCHEMBL17542942 0.89 PTGDR2 (0.36) CHRM5ALDH1A1MEN1KMT2AKDM4E
SCHEMBL17543313 0.88 KCNH2 (0.34) CHRM5ALDH1A1MEN1KMT2ABLM
SCHEMBL17543673 0.87 CHRM5 (0.33) CHRM5ALDH1A1MAPTSMN1; SMN2GRM2
SCHEMBL17543875 0.85 SMN1; SMN2 (0.33) CHRM5ALDH1A1MEN1KMT2ABLM

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 1356/4885ALDH1A1 1458/4885MEN1 2793/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD CHRM5 1356/4885ALDH1A1 1458/4885MEN1 2793/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRM5 1356/4885ALDH1A1 1458/4885MEN1 2793/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD CHRM5 1356/4885ALDH1A1 1458/4885MEN1 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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