SCHEMBL17543446

SCHEMBL17543446

O=C1CCc2c(OCc3ccccc3)cc(F)c(O)c2N1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
BRD4 O60885 2/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KDM1A O60341 4/20 0.39
CRBN Q96SW2 2/20 0.39
IKZF3 Q9UKT9 1/20 0.39
CREBBP Q92793 1/20 0.38
NPC1 O15118 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
PTGER1 P34995 1/20 0.38
S1PR5 Q9H228 1/20 0.38
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
DDB1 Q16531 1/20 0.38

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 0.86 MAOA (0.44) MAOAMAOBBRD4CYP19A1CYP11B1
SCHEMBL17543205 0.79 BRD4 (0.40) MAOAMAOBBRD4CYP19A1CYP11B1
SCHEMBL6074738 0.78 BRD4 (0.46) MAOAMAOBBRD4CYP19A1CYP11B1
SCHEMBL17543747 0.77 MAOB (0.53) MAOAMAOBBRD4CYP19A1CYP11B1
SCHEMBL17543494 0.76 MAOA (0.36) MAOAMAOBBRD4CYP19A1CYP11B1
SCHEMBL12559634 0.75 BRD4 (0.51) MAOAMAOBBRD4CYP19A1CYP11B1
SCHEMBL11250481 0.75 BRD4 (0.43) MAOAMAOBBRD4CYP19A1CYP11B1
SCHEMBL26604739 0.73 MAOB (0.54) MAOAMAOBBRD4CYP19A1CYP11B1
SCHEMBL9651009 0.72 BRD4 (0.44) MAOAMAOBBRD4CYP19A1CYP11B1
SCHEMBL28532774 0.72 MAOB (0.63) MAOAMAOBBRD4CYP19A1CYP11B1

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

“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.