SCHEMBL4607929

SCHEMBL4607929

Nc1cc(Sc2ccc(Br)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 5/20 0.55
TDP1 Q9NUW8 4/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 7/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PDE7B Q9NP56 1/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
RECQL P46063 1/20 0.39
SIRT6 Q8N6T7 1/20 0.39

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
SCHEMBL2419394 0.85 PDE7A (0.56) PDE7ATDP1TSHRMAPTMEN1
SCHEMBL6348646 0.84 PDE7A (0.55) PDE7ATDP1TSHRMAPTMEN1
SCHEMBL5857819 0.84 PDE7A (0.55) PDE7ATDP1TSHRMAPTMEN1
SCHEMBL11653018 0.84 PDE7A (0.63) PDE7ATDP1TSHRMAPTMEN1
SCHEMBL5858703 0.84 PDE7A (0.56) PDE7ATDP1TSHRMAPTMEN1
SCHEMBL11631033 0.84 PDE7A (0.55) PDE7ATDP1TSHRMAPTMEN1
SCHEMBL11860085 0.83 PDE7A (0.55) PDE7ATDP1TSHRMAPTMEN1
SCHEMBL990027 0.81 TDP1 (0.64) TDP1TSHRMAPTMEN1KMT2A
SCHEMBL4609255 0.81 PDE7A (0.72) PDE7ATDP1TSHRMAPTMEN1
SCHEMBL5956007 0.80 MAPT (0.52) PDE7ATDP1TSHRMAPTMEN1

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
US-20250214945-A1 THIOBENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2025-07-03 US disclosed
EP-4506346-A1 THIOBENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF Korea University Research and Business Foundation (KR) 2025-02-12 EP disclosed
CN-118974041-A Thiobenzimidazole derivatives or pharmaceutically acceptable salts thereof and use thereof 高丽大学校产学协力团 2024-11-15 CN disclosed
CN-116348114-A Thiobenzimidazole derivatives or pharmaceutically acceptable salts thereof and use thereof 高丽大学校产学协力团 2023-06-27 CN disclosed
EP-1059927-B1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 2008-07-30 EP disclosed
US-6369273-B1 ARYL ALCOHOLS OR ESTERS FOR ELEVATION OF PYRUVATE DHYDROGENASE ASTRAZENECA AB (SE) 2002-04-09 US disclosed
EP-1059927-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY AstraZeneca AB (SE) 2000-12-20 EP disclosed
WO-1999044618-A1 CHEMICAL COMPOUNDS AND THEIR USE TO ELEVATE PYRUVATE DEHYDROGENASE ACTIVITY ASTRAZENECA AB (SE) 1999-09-10 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 (1 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-20250214945-A1 THIOBENZIMIDAZOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND USE THEREOF TTBK2, TUBB3, TUBB PDE7A 4769/4885TDP1 1885/4885TSHR 2851/4885

“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.