SCHEMBL17543204

SCHEMBL17543204

O=[N+]([O-])c1ccc(Cl)c(N2CCC3(CC2)CO3)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.56
HTT P42858 1/20 0.52
ADRA1B P35368 1/20 0.51
MAPT P10636 6/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.45
MAPK1 P28482 1/20 0.43
SLC6A9 P48067 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42

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
SCHEMBL17543872 0.85 FFAR4 (0.55) FFAR4HTTADRA1BMAPTGAA
SCHEMBL17543646 0.78 SMN1; SMN2 (0.49) ADRA1BALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL17543257 0.77 ALDH1A1 (0.65) FFAR4HTTADRA1BMAPTGAA
SCHEMBL6577448 0.77 HTT (0.60) FFAR4HTTADRA1BMAPTGAA
SCHEMBL7803729 0.77 HTT (0.60) HTTADRA1BMAPTGAAALDH1A1
SCHEMBL854061 0.76 ALDH1A1 (0.55) HTTMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL17542723 0.76 MAPK1 (0.68) HTTMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL12352613 0.72 SMN1; SMN2 (0.53) HTTMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL16482933 0.72 FFAR4 (1.00) FFAR4
SCHEMBL25332920 0.70 SMN1; SMN2 (0.67) HTTALDH1A1SMN1; SMN2LMNAMEN1

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 7 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
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 FFAR4 4026/4885HTT 3769/4885ADRA1B 665/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD FFAR4 4026/4885HTT 3769/4885ADRA1B 665/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD FFAR4 4026/4885HTT 3769/4885ADRA1B 665/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD FFAR4 4026/4885HTT 3769/4885ADRA1B 665/4885

“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.