SCHEMBL17543702

SCHEMBL17543702

O=C1CCN(c2c(F)cc(Cl)cc2Cl)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.32
MAPT P10636 2/20 0.32
HRH4 Q9H3N8 2/20 0.31
P2RX7 Q99572 2/20 0.31
FFAR4 Q5NUL3 2/20 0.31
RAD51 Q06609 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
ADRB1 P08588 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
PTGS2 P35354 2/20 0.31
PTGS1 P23219 1/20 0.31
HTR2C P28335 1/20 0.30
ALDH1A3 P47895 1/20 0.30
MEN1 O00255 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL17543135 0.91 KMT2A (0.41) KMT2AALDH1A1HRH4FFAR4RAD51
SCHEMBL17543121 0.83 KMT2A (0.36) KMT2AALDH1A1MAPTP2RX7MEN1
SCHEMBL17542804 0.83 KMT2A (0.36) KMT2AALDH1A1MAPT
SCHEMBL17542773 0.79 KMT2A (0.37) KMT2ATP53P2RX7MEN1L3MBTL1
SCHEMBL9830105 0.77 HSP90AA1 (0.37) KMT2AALDH1A1CHRM2CHRM4ADRB1
SCHEMBL17543221 0.76 PDE7A (0.38) KMT2AALDH1A1MAPTMEN1L3MBTL1
SCHEMBL17543544 0.76 ALDH1A1 (0.42) KMT2AALDH1A1FFAR4HTR2C
SCHEMBL12684538 0.73 ALDH1A1 (0.41) KMT2AALDH1A1MAPTFFAR4MEN1
SCHEMBL5622837 0.73 ALDH1A1 (0.41) KMT2AALDH1A1MAPT
SCHEMBL17543687 0.72 ALDH1A1 (0.59) KMT2AALDH1A1L3MBTL1

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 KMT2A 2525/4885ALDH1A1 1458/4885TP53 3676/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD KMT2A 2525/4885ALDH1A1 1458/4885TP53 3676/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KMT2A 2525/4885ALDH1A1 1458/4885TP53 3676/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD KMT2A 2525/4885ALDH1A1 1458/4885TP53 3676/4885

“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.