SCHEMBL17543257

SCHEMBL17543257

O=C1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.65
KMT2A Q03164 3/20 0.65
HTT P42858 2/20 0.57
ADRA1B P35368 1/20 0.52
FFAR4 Q5NUL3 1/20 0.51
MAPT P10636 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 4/20 0.50
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7803729 0.82 HTT (0.60) ALDH1A1KMT2AHTTADRA1BMAPT
SCHEMBL6577448 0.82 HTT (0.60) ALDH1A1KMT2AHTTADRA1BFFAR4
SCHEMBL328460 0.82 ALDH1A1 (0.65) ALDH1A1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL7515195 0.82 ALDH1A1 (0.66) ALDH1A1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL25220638 0.79 ALDH1A1 (0.69) ALDH1A1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL10126926 0.79 ALDH1A1 (0.69) ALDH1A1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL29744710 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL3042630 0.79 ALDH1A1 (1.00) ALDH1A1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL283237 0.78 ALDH1A1 (0.60) ALDH1A1KMT2AHTTMAPTSMN1; SMN2
SCHEMBL17543204 0.77 FFAR4 (0.56) ALDH1A1KMT2AHTTADRA1BFFAR4

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 ALDH1A1 1458/4885KMT2A 2525/4885HTT 3769/4885
US-10464926-B2 Heterobicyclic compounds and their use for the treatment of tuberculosis FNTB, SLC11A2, TBCD ALDH1A1 1458/4885KMT2A 2525/4885HTT 3769/4885
US-20180312488-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ALDH1A1 1458/4885KMT2A 2525/4885HTT 3769/4885
US-20170253576-A1 HETEROBICYCLIC COMPOUNDS AND THEIR USE FOR THE TREATMENT OF TUBERCULOSIS FNTB, SLC11A2, TBCD ALDH1A1 1458/4885KMT2A 2525/4885HTT 3769/4885

“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.