SCHEMBL17543646

SCHEMBL17543646

Clc1ccc(Cl)c(N2CCC3(CC2)CO3)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 2/20 0.47
MCOLN3 Q8TDD5 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NR1H4 Q96RI1 1/20 0.44
ADRA1B P35368 12/20 0.43
HTR1A P08908 9/20 0.43
ADRA1A P35348 5/20 0.43
ADRA1D P25100 1/20 0.43
NOTUM Q6P988 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
SCHEMBL17543711 0.88 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2AHTR1A
SCHEMBL17542884 0.81 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17542945 0.81 AKR1C3 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ANPSR1
SCHEMBL17542882 0.81 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1MEN1MAPK1KMT2A
SCHEMBL30116237 0.81 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL17543204 0.78 FFAR4 (0.56) SMN1; SMN2ALDH1A1MEN1MAPK1KMT2A
SCHEMBL17543305 0.77 PHGDH (0.44) SMN1; SMN2NOTUM
SCHEMBL17542943 0.77 FFAR4 (0.62)
SCHEMBL9830614 0.76 ALDH1A1 (0.65) ALDH1A1MCOLN3MEN1MAPK1KMT2A
SCHEMBL17542688 0.75 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2A

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 SMN1; SMN2 4767/4885ALDH1A1 1458/4885MCOLN3 3213/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885ALDH1A1 1458/4885MCOLN3 3213/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD SMN1; SMN2 4767/4885ALDH1A1 1458/4885MCOLN3 3213/4885

“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.