SCHEMBL17543473

SCHEMBL17543473

COc1ccc(CN2C(=O)CCc3c(OCC4(ON)CCN(c5ncc(Cl)cc5Cl)CC4)ccc(F)c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ TNK1 Q13470 1/20 0.34
▸ C5AR1 P21730 1/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PPP1CA P62136 1/20 0.33
▸ P2RY12 Q9H244 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ HSP90B1 P14625 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
SCHEMBL17543861 0.94 KCNN4 (0.36) KCNN4MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL17542922 0.90 SMN1; SMN2 (0.37) KCNN4MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL17543308 0.88 SMN1; SMN2 (0.36) KCNN4MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL17543000 0.88 SMN1; SMN2 (0.38) KCNN4MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL17542816 0.87 P2RY12 (0.37) KCNN4MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL17544032 0.87 KDM4E (0.37) MAPTKDM4EMEN1KMT2AHPGD
SCHEMBL28891099 0.86 C5AR1 (0.36) KCNN4MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL17543452 0.85 P2RY12 (0.40) MAPTSMN1; SMN2CYP2C9CYP2C19MEN1
SCHEMBL17543550 0.85 SMN1; SMN2 (0.36) KCNN4MAPTSMN1; SMN2CYP2C9CYP2C19
SCHEMBL17543101 0.85 CHRM5 (0.34) KCNN4MAPTSMN1; SMN2CYP2C9CYP2C19

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 KCNN4 3750/4885MAPT 1813/4885SMN1; SMN2 4767/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KCNN4 3750/4885MAPT 1813/4885SMN1; SMN2 4767/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KCNN4 3750/4885MAPT 1813/4885SMN1; SMN2 4767/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KCNN4 3750/4885MAPT 1813/4885SMN1; SMN2 4767/4885

“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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