SCHEMBL17544032

SCHEMBL17544032

COc1ccc(CN2C(=O)CCc3c(OCC4(ON)CCN(c5ncc(F)cc5C#N)CC4)ccc(F)c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PPP1CA P62136 1/20 0.37
▸ CHRM4 P08173 1/20 0.32
▸ GPR6 P46095 4/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ SLC22A12 Q96S37 3/20 0.31
▸ RIPK3 Q9Y572 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ AR P10275 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31

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
SCHEMBL17543361 0.90 TRPV4 (0.37) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL17543984 0.90 MAPT (0.35) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL17543473 0.87 KCNN4 (0.35) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL17543861 0.81 KCNN4 (0.36) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL17543024 0.81 DRD2 (0.33) GPR6SLC22A12HCRTR1HCRTR2
SCHEMBL17543461 0.80 CHRM4 (0.34) KDM4EMAPTHTTCHRM4CACNA1H
SCHEMBL17543166 0.80 TRPV4 (0.39) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL17543069 0.79 KDM4E (0.35) KDM4EMAPTTP53THRBHTT
SCHEMBL17543695 0.79 TRPV4 (0.34) KDM4EMAPTMEN1KMT2ATP53
SCHEMBL17543145 0.79 TRPV4 (0.34) KDM4EMAPTMEN1KMT2ATP53

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 3721/4885MAPT 1813/4885MEN1 2793/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KDM4E 3721/4885MAPT 1813/4885MEN1 2793/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KDM4E 3721/4885MAPT 1813/4885MEN1 2793/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KDM4E 3721/4885MAPT 1813/4885MEN1 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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