SCHEMBL17544172

SCHEMBL17544172

COc1ccc(CN2C(=O)CCc3c(OCC4(N)CCNCC4)ccc(F)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ BLM P54132 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ CMA1 P23946 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ HTT P42858 4/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GSK3A P49840 2/20 0.34
▸ GSK3B P49841 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ GRM2 Q14416 2/20 0.34
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90B1 P14625 1/20 0.33
▸ TRAP1 Q12931 1/20 0.33
▸ NPSR1 Q6W5P4 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
SCHEMBL17542862 0.89 MEN1 (0.41) ALDH1A1MEN1KMT2ABLML3MBTL1
Hydrochloric Acid SCHEMBL17543314 0.89 MEN1 (0.41) ALDH1A1MEN1KMT2ABLML3MBTL1
SCHEMBL17543438 0.88 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ABLML3MBTL1
SCHEMBL17542777 0.85 MEN1 (0.34) ALDH1A1MEN1KMT2ABLML3MBTL1
SCHEMBL17543699 0.84 KMT2A (0.39) ALDH1A1MEN1KMT2ABLML3MBTL1
SCHEMBL17543610 0.83 DDB1 (0.39) ALDH1A1MEN1KMT2ABLML3MBTL1
SCHEMBL17543122 0.83 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ABLML3MBTL1
Hydrochloric Acid SCHEMBL17542757 0.83 KMT2A (0.36) ALDH1A1MEN1KMT2ABLML3MBTL1
Hydrochloric Acid SCHEMBL17542756 0.83 KMT2A (0.36) ALDH1A1MEN1KMT2ABLML3MBTL1
SCHEMBL17543701 0.83 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ABLML3MBTL1

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