SCHEMBL17542839

SCHEMBL17542839

COc1ccc(CN2C(=O)CCc3c(NC(C)=O)cc(F)c(F)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ GRM2 Q14416 3/20 0.40
▸ CMA1 P23946 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ BLM P54132 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL17542811 0.88 KDM4E (0.43) KDM4EHTTGRM2CMA1HDAC6
SCHEMBL17543089 0.83 CMA1 (0.45) KDM4EHTTGRM2CMA1ALDH1A1
SCHEMBL17543893 0.82 KDM4E (0.44) KDM4EHTTGRM2CMA1HDAC6
SCHEMBL17543436 0.81 CMA1 (0.45) GRM2CMA1ALDH1A1MEN1KMT2A
SCHEMBL17544118 0.78 CMA1 (0.42) GRM2CMA1ALDH1A1MEN1KMT2A
SCHEMBL17542951 0.78 KDM4E (0.42) KDM4EHTTGRM2CMA1HDAC6
SCHEMBL17543227 0.77 CMA1 (0.45) KDM4EHTTCMA1HDAC6ALDH1A1
SCHEMBL17543189 0.75 CHRM5 (0.39) GRM2CMA1ALDH1A1MEN1KMT2A
SCHEMBL17543046 0.74 PTGDR2 (0.36) KDM4EHTTHDAC6ALDH1A1MEN1
SCHEMBL17542630 0.74 CMA1 (0.47) KDM4EHTTGRM2CMA1HDAC6

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 7 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
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 3769/4885GRM2 3086/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KDM4E 3721/4885HTT 3769/4885GRM2 3086/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KDM4E 3721/4885HTT 3769/4885GRM2 3086/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KDM4E 3721/4885HTT 3769/4885GRM2 3086/4885

“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.

Send feedback