SCHEMBL21049181

SCHEMBL21049181

O=[N+]([O-])c1ncccc1Nc1ccc(C2CC2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 5/20 0.42
▸ ELANE P08246 1/20 0.40
▸ PDK2 Q15119 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 4/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ PTGES O14684 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL21049187 0.82 MEN1 (0.52) SLC22A12MAPTL3MBTL1MEN1KMT2A
SCHEMBL29678020 0.78 SLC22A12 (0.46) SLC22A12ELANEPDK2MAPTKDM4E
SCHEMBL21049172 0.77 ALDH1A1 (0.55) SLC22A12MAPTMEN1KMT2AALDH1A1
SCHEMBL15174023 0.74 ELANE (0.43) ELANEPDK2MAPTL3MBTL1MEN1
SCHEMBL15221627 0.73 KMT2A (0.44) ELANEMAPTL3MBTL1MEN1KMT2A
SCHEMBL28914590 0.72 SLC22A12 (0.46) SLC22A12PDK2CYP1A2CYP2C19
SCHEMBL6252735 0.71 L3MBTL1 (0.57) MAPTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL2509686 0.70 MEN1 (0.59) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL21189171 0.70 MEN1 (0.55) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL31419067 0.69 ALDH1A1 (0.46) MAPTL3MBTL1MEN1KMT2ACYP1A2

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
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 SLC22A12 118/4885ELANE 3593/4885PDK2 2174/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 SLC22A12 163/4885ELANE 3236/4885PDK2 2160/4885

“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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