SCHEMBL17543452

SCHEMBL17543452

CCOC(=O)C1(COc2ccc(F)c3c2CCC(=O)N3Cc2ccc(OC)cc2)CCN(c2ncc(Cl)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 1/20 0.40
▸ KMT2A Q03164 9/20 0.38
▸ MEN1 O00255 8/20 0.38
▸ POLB P06746 5/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ P2RX3 P56373 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
SCHEMBL17543000 0.92 SMN1; SMN2 (0.38) P2RY12KMT2APOLBALDH1A1MAPT
SCHEMBL17543034 0.91 KMT2A (0.38) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL17542841 0.91 KMT2A (0.38) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL17543590 0.90 KMT2A (0.39) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL17542953 0.89 KMT2A (0.40) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL17543014 0.88 KMT2A (0.39) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL17542922 0.88 SMN1; SMN2 (0.37) P2RY12KMT2APOLBALDH1A1MAPT
SCHEMBL17542734 0.88 KMT2A (0.38) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL17543821 0.88 KMT2A (0.38) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL17542717 0.88 KMT2A (0.38) KMT2AMEN1POLBALDH1A1L3MBTL1

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 P2RY12 3828/4885KMT2A 2525/4885MEN1 2793/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD P2RY12 3828/4885KMT2A 2525/4885MEN1 2793/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD P2RY12 3828/4885KMT2A 2525/4885MEN1 2793/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD P2RY12 3828/4885KMT2A 2525/4885MEN1 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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