SCHEMBL21093546

SCHEMBL21093546

Nc1cnccc1NC1CCCCCCCC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.59
▸ GAA P10253 2/20 0.59
▸ MAPT P10636 1/20 0.59
▸ AOC1 P19801 4/20 0.57
▸ AOC3 Q16853 3/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ KMT2A Q03164 1/20 0.57
▸ PTGS1 P23219 6/20 0.55
▸ PTGS2 P35354 5/20 0.55
▸ BRS3 P32247 1/20 0.46
▸ LATS1 O95835 1/20 0.46
▸ LATS2 Q9NRM7 1/20 0.46
▸ ALOX15 P16050 1/20 0.42
▸ HIPK2 Q9H2X6 1/20 0.41

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
SCHEMBL19851080 1.00 KDM4E (0.59) KDM4EGAAMAPTAOC1AOC3
SCHEMBL16054255 1.00 KDM4E (0.59) KDM4EGAAMAPTAOC1AOC3
SCHEMBL5958407 0.91 AOC1 (0.54) KDM4EGAAMAPTAOC1AOC3
SCHEMBL29539060 0.91 AOC1 (0.54) KDM4EGAAMAPTAOC1AOC3
SCHEMBL28577780 0.86 AOC1 (0.61) KDM4EGAAMAPTAOC1AOC3
SCHEMBL28564192 0.84 AOC1 (0.62) KDM4EGAAMAPTAOC1AOC3
SCHEMBL16695821 0.83 MAPK1 (0.45) KDM4EGAAMAPTAOC1AOC3
SCHEMBL15651849 0.83 AOC1 (0.48) KDM4EGAAMAPTAOC1AOC3
SCHEMBL14046305 0.83 ROCK2 (0.50) KDM4EGAAMAPTAOC1AOC3
SCHEMBL19980620 0.82 PRKCZ (0.61) HIPK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SHANDONG UNIVERSITY (CN) 2019-09-03 — — US disclosed
US-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SHANDONG UNIVERSITY (CN) 2019-07-25 — — US disclosed
EP-3495362-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shandong University (CN) 2019-06-12 — — EP 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-20190225606-A1 Novel Imidazopyridine Thioglycolic Acid Derivatives as Potent Inhibitors of Human Urate Transporter 1 SLC29A1, SLC28A1, SLC5A1 KDM4E 4243/4885GAA 375/4885MAPT 2058/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 KDM4E 4231/4885GAA 371/4885MAPT 1810/4885

“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.

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