SCHEMBL17543205

SCHEMBL17543205

CC1(C)OB(c2c(F)cc(OCc3ccccc3)c3c2NC(=O)CC3)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CREBBP Q92793 1/20 0.36
DGAT1 O75907 1/20 0.35
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
KDM1A O60341 5/20 0.35
EGFR P00533 1/20 0.35
CRBN Q96SW2 1/20 0.34
IKZF3 Q9UKT9 1/20 0.34
HTR1A P08908 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL17543140 0.79 MAOA (0.44) BRD4MAOAMAOBCYP19A1CYP11B1
SCHEMBL17543446 0.79 MAOA (0.44) BRD4MAOAMAOBCYP19A1CYP11B1
SCHEMBL16388140 0.75 DGAT1 (0.41) BRD4L3MBTL1DGAT1EGFR
SCHEMBL17543494 0.71 MAOA (0.36) BRD4MAOAMAOBCYP19A1CYP11B1
SCHEMBL12559634 0.71 BRD4 (0.51) BRD4MAOAMAOBL3MBTL1CYP19A1
SCHEMBL17543747 0.70 MAOB (0.53) BRD4MAOAMAOBL3MBTL1CYP19A1
SCHEMBL27090098 0.70 DGAT1 (0.40) BRD4L3MBTL1DGAT1CTSVCTSL
SCHEMBL30214817 0.70 DGAT1 (0.40) BRD4MAOBL3MBTL1DGAT1CTSV
SCHEMBL21835741 0.69 MRGPRX4 (0.45) BRD4L3MBTL1DGAT1KDM1AHTR1A
SCHEMBL30809615 0.69 MRGPRX4 (0.45) BRD4L3MBTL1DGAT1KDM1AHTR1A

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 BRD4 173/4885MAOA 1747/4885MAOB 712/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD BRD4 173/4885MAOA 1747/4885MAOB 712/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD BRD4 173/4885MAOA 1747/4885MAOB 712/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD BRD4 173/4885MAOA 1747/4885MAOB 712/4885

“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.