SCHEMBL17543707

SCHEMBL17543707

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ GALR2 O43603 1/20 0.35
▸ GALR1 P47211 1/20 0.35
▸ P2RX3 P56373 1/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.33
▸ CTSD P07339 1/20 0.33
▸ CTSE P14091 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ ADAM17 P78536 1/20 0.33
▸ OPRD1 P41143 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
SCHEMBL17543827 0.92 TSHR (0.33) SMN1; SMN2MAPTALDH1A1OPRD1OPRK1
SCHEMBL17543134 0.89 MAPT (0.38) KDM1ASMN1; SMN2LMNAMAPTGALR2
SCHEMBL17542883 0.88 KDM1A (0.38) KDM1ASMN1; SMN2LMNAMAPTGALR2
SCHEMBL17542653 0.86 KDM1A (0.37) KDM1ASMN1; SMN2LMNAMAPTGALR2
SCHEMBL17543284 0.86 LMNA (0.37) KDM1ASMN1; SMN2LMNAMAPTGALR2
SCHEMBL17543581 0.86 MEN1 (0.32) SMN1; SMN2MAPTALDH1A1TP53
SCHEMBL17543211 0.85 ALDH1A1 (0.42) LMNAMAPTALDH1A1OPRD1OPRK1
SCHEMBL17543877 0.85 DDB1 (0.39) SMN1; SMN2LMNAMAPTALDH1A1HTR6
SCHEMBL17542796 0.84 ALDH1A1 (0.33) SMN1; SMN2LMNAMAPTALDH1A1TSHR
SCHEMBL17542907 0.83 DDB1 (0.32) LMNAMAPTTP53

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 KDM1A 3931/4885SMN1; SMN2 4767/4885LMNA 3108/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KDM1A 3931/4885SMN1; SMN2 4767/4885LMNA 3108/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KDM1A 3931/4885SMN1; SMN2 4767/4885LMNA 3108/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KDM1A 3931/4885SMN1; SMN2 4767/4885LMNA 3108/4885

“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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