SCHEMBL17543000

SCHEMBL17543000

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.36
▸ C5AR1 P21730 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ CXCR3 P49682 2/20 0.35
▸ KCNN4 O15554 2/20 0.35
▸ KCNH2 Q12809 1/20 0.34
▸ GRM2 Q14416 2/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGER2 P43116 1/20 0.33
▸ PTGDR Q13258 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL17543452 0.92 P2RY12 (0.40) SMN1; SMN2MAPTCYP2C9CYP2C19P2RY12
SCHEMBL17543461 0.91 CHRM4 (0.34) SMN1; SMN2MAPTCYP2C9CYP2C19KDM4E
SCHEMBL17542922 0.91 SMN1; SMN2 (0.37) SMN1; SMN2MAPTCYP2C9CYP2C19P2RY12
SCHEMBL17542816 0.90 P2RY12 (0.37) SMN1; SMN2MAPTCYP2C9CYP2C19P2RY12
SCHEMBL17543069 0.90 KDM4E (0.35) MAPTP2RY12KDM4ECXCR3KCNH2
SCHEMBL17543308 0.90 SMN1; SMN2 (0.36) SMN1; SMN2MAPTCYP2C9CYP2C19P2RY12
SCHEMBL17543335 0.90 PTGDR2 (0.39) MAPTALDH1A1KDM4EHPGDPOLB
SCHEMBL17543861 0.90 KCNN4 (0.36) SMN1; SMN2MAPTCYP2C9CYP2C19P2RY12
SCHEMBL17543550 0.90 SMN1; SMN2 (0.36) SMN1; SMN2MAPTCYP2C9CYP2C19P2RY12
SCHEMBL17543548 0.89 P2RY12 (0.38) SMN1; SMN2MAPTCYP2C9CYP2C19P2RY12

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 SMN1; SMN2 4767/4885MAPT 1813/4885CYP2C9 1365/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885MAPT 1813/4885CYP2C9 1365/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885MAPT 1813/4885CYP2C9 1365/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885MAPT 1813/4885CYP2C9 1365/4885

“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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