SCHEMBL19851119

SCHEMBL19851119

Nc1ncccc1NC1CCCCCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.64
▸ GAA P10253 2/20 0.64
▸ MAPT P10636 1/20 0.64
▸ AOC1 P19801 3/20 0.43
▸ AOC3 Q16853 3/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ KMT5B Q4FZB7 2/20 0.41
▸ KMT5C Q86Y97 2/20 0.41
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CCNA2 P20248 1/20 0.40
▸ CDK2 P24941 1/20 0.40

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
SCHEMBL23954467 1.00 KDM4E (0.64) KDM4EGAAMAPTAOC1AOC3
SCHEMBL19851113 1.00 KDM4E (0.64) KDM4EGAAMAPTAOC1AOC3
SCHEMBL13054216 1.00 KDM4E (0.64) KDM4EGAAMAPTAOC1AOC3
SCHEMBL15221623 0.91 KDM4E (0.50) KDM4EGAAMAPTAOC1AOC3
SCHEMBL880536 0.85 KDM4E (0.48) KDM4EGAAMAPTALDH1A1
SCHEMBL12537719 0.83 HRH3 (0.51) KDM4EGAAMAPTBACE1ALDH1A1
Hydrochloric Acid SCHEMBL12469771 0.82 HRH3 (0.50) KDM4EGAAMAPTBACE1ALDH1A1
SCHEMBL5778944 0.79 KDM4E (0.55) KDM4EGAAMAPTALDH1A1L3MBTL1
SCHEMBL21093636 0.79 KDM4E (0.55) KDM4EGAAMAPTALDH1A1L3MBTL1
SCHEMBL19851082 0.79 KDM4E (0.55) KDM4EGAAMAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495362-B1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF UNIV SHANDONG (CN) 2021-10-27 — — EP disclosed
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
WO-2018023851-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2018-02-08 — — 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-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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