SCHEMBL17543284

SCHEMBL17543284

COc1ccc(CN2C(=O)CCc3c(OCC4(CO)CCN(C(=O)OC(C)(C)C)CC4)ccc(F)c32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ P2RX3 P56373 1/20 0.36
▸ BACE1 P56817 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ GALR2 O43603 1/20 0.35
▸ GALR1 P47211 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ CTSD P07339 1/20 0.34
▸ CTSE P14091 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ OPRD1 P41143 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ TNKS O95271 1/20 0.34
▸ PARP1 P09874 1/20 0.34

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
SCHEMBL17542883 0.91 KDM1A (0.38) LMNAKDM1AMAPTSMN1; SMN2P2RX3
SCHEMBL17542653 0.89 KDM1A (0.37) LMNAKDM1AMAPTSMN1; SMN2P2RX3
SCHEMBL17543134 0.88 MAPT (0.38) LMNAKDM1AMAPTSMN1; SMN2P2RX3
SCHEMBL17543707 0.86 KDM1A (0.36) LMNAKDM1AMAPTSMN1; SMN2P2RX3
SCHEMBL17543211 0.86 ALDH1A1 (0.42) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL17543438 0.85 ALDH1A1 (0.38) LMNAMAPTALDH1A1KDM4EMEN1
SCHEMBL28413460 0.85 HTR6 (0.37) LMNAKDM1AMAPTSMN1; SMN2P2RX3
SCHEMBL28418218 0.85 HTR6 (0.37) LMNAKDM1AMAPTSMN1; SMN2P2RX3
SCHEMBL17543735 0.85 HTT (0.37) LMNAALDH1A1KDM4EMEN1POLB
SCHEMBL21048964 0.84 ALDH1A1 (0.37) LMNAKDM1AMAPTSMN1; SMN2P2RX3

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 LMNA 3108/4885KDM1A 3931/4885MAPT 1813/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD LMNA 3108/4885KDM1A 3931/4885MAPT 1813/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD LMNA 3108/4885KDM1A 3931/4885MAPT 1813/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD LMNA 3108/4885KDM1A 3931/4885MAPT 1813/4885

“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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