SCHEMBL20743530

SCHEMBL20743530

CCOC(=O)CNS(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
CYP19A1 P11511 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
NPC1 O15118 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
PKM P14618 1/20 0.50
TSHR P16473 1/20 0.46
KDM1A O60341 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IDO1 P14902 1/20 0.45

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
SCHEMBL1145729 0.87 ALDH1A1 (0.66) ALDH1A1CYP19A1SMN1; SMN2KDM4ENPC1
SCHEMBL4709273 0.86 ALDH1A1 (0.58) ALDH1A1CYP19A1SMN1; SMN2KDM4E
SCHEMBL257480 0.84 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2KDM4ENPC1GAA
SCHEMBL7261912 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4ENPC1GAA
SCHEMBL6506619 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2KDM4ENPC1GAA
SCHEMBL13917758 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4ENPC1GAA
SCHEMBL28849841 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4ENPC1GAA
SCHEMBL7345656 0.80 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4ENPC1GAA
SCHEMBL7389093 0.80 SMN1; SMN2 (0.55) ALDH1A1CYP19A1SMN1; SMN2GAAKDM1A
SCHEMBL28746053 0.78 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2KDM4ENPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997651-B Novel tetrazole compounds and their use in the treatment of tuberculosis 葛兰素史密斯克莱知识产权发展有限公司 2023-01-03 CN disclosed
US-11072591-B2 Tetrazole compounds and their use in the treatment of tuberculosis GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-27 US disclosed
US-11072591-B2 Tetrazole compounds and their use in the treatment of tuberculosis GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-27 US disclosed
EP-3668856-B1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-06-23 EP disclosed
EP-3668856-B1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-06-23 EP disclosed
US-20200231555-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-23 US disclosed
US-20200231555-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-23 US disclosed
EP-3668856-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-06-24 EP disclosed
CN-110997651-A Novel tetrazole compounds and their use in the treatment of tuberculosis 葛兰素史密斯克莱知识产权发展有限公司 2020-04-10 CN disclosed
WO-2019034729-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 WO disclosed
WO-2019034729-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 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 (2 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-20200231555-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS TBL1XR1, TBCA, TST ALDH1A1 605/4885CYP19A1 4380/4885SMN1; SMN2 4331/4885
US-11072591-B2 Tetrazole compounds and their use in the treatment of tuberculosis TST, TBCA, TBCD ALDH1A1 552/4885CYP19A1 3765/4885SMN1; SMN2 3986/4885

“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.