SCHEMBL17543272

SCHEMBL17543272

Fc1cc(Br)cc(F)c1N1CCC2(CC1)CO2

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL17543336 0.86 SLC6A2 (0.34) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL25964545 0.83 LRRK2 (0.33) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL17544071 0.83 SMN1; SMN2 (0.40) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL17542638 0.80 SMN1; SMN2 (0.35) SLC6A2SLC6A4SLC6A3SMN1; SMN2
SCHEMBL17543676 0.79 FFAR4 (0.40) ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL17543300 0.79 ALDH1A1 (0.42) ALDH1A1MAPK1SLC6A2SLC6A4SLC6A3
SCHEMBL2723622 0.76 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL17542685 0.76 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL17543770 0.76 SMN1; SMN2 (0.40) KMT2AMEN1ALDH1A1MAPK1L3MBTL1
SCHEMBL17543684 0.76 SMN1; SMN2 (0.37) KMT2AMEN1ALDH1A1MAPK1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (3 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 KMT2A 2525/4885MEN1 2793/4885ALDH1A1 1458/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KMT2A 2525/4885MEN1 2793/4885ALDH1A1 1458/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KMT2A 2525/4885MEN1 2793/4885ALDH1A1 1458/4885

“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.