SCHEMBL17542841

SCHEMBL17542841

CCOC(=O)C1(COc2ccc(F)c3c2CCC(=O)N3Cc2ccc(OC)cc2)CCN(c2ncc(F)cc2C)CC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ MEN1 O00255 7/20 0.38
▸ POLB P06746 5/20 0.38
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL17543034 0.95 KMT2A (0.38) KMT2AALDH1A1MEN1POLBL3MBTL1
SCHEMBL17543069 0.92 KDM4E (0.35) HTTMAPTLMNA
SCHEMBL17543452 0.91 P2RY12 (0.40) KMT2AALDH1A1MEN1POLBL3MBTL1
SCHEMBL17543832 0.89 KMT2A (0.40) KMT2AALDH1A1MEN1POLBL3MBTL1
SCHEMBL17543330 0.88 KMT2A (0.39) KMT2AALDH1A1MEN1POLBL3MBTL1
SCHEMBL17542953 0.87 KMT2A (0.40) KMT2AALDH1A1MEN1POLBL3MBTL1
SCHEMBL17543374 0.87 KMT2A (0.39) KMT2AALDH1A1MEN1POLBL3MBTL1
SCHEMBL17543461 0.87 CHRM4 (0.34) HTTMAPT
SCHEMBL17543315 0.87 KMT2A (0.40) KMT2AALDH1A1MEN1POLBL3MBTL1
SCHEMBL17543014 0.85 KMT2A (0.39) KMT2AALDH1A1MEN1POLBL3MBTL1

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