SCHEMBL21049177

SCHEMBL21049177

Nc1cnccc1Nc1ccc(C2CC2)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 10/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PDK2 Q15119 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ HDAC2 Q92769 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAD52 P43351 1/20 0.34
▸ CYP2C9 P11712 3/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ TGFBR1 P36897 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CDC25B P30305 1/20 0.33

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
SCHEMBL30063598 1.00 SLC22A12 (0.40) SLC22A12ALDH1A1MAPTPDK2EGFR
SCHEMBL21049172 0.79 ALDH1A1 (0.55) SLC22A12ALDH1A1MAPTEGFRHTT
SCHEMBL29678020 0.77 SLC22A12 (0.46) SLC22A12MAPTPDK2KDM4ECYP2C9
SCHEMBL28914590 0.76 SLC22A12 (0.46) SLC22A12PDK2EGFRCYP2C9CYP1A2
SCHEMBL31178670 0.71 AXL (0.53) SLC22A12PDK2KDM4EPOLBHTT
SCHEMBL28806716 0.69 IDO1 (0.52) SLC22A12PDK2
SCHEMBL29517316 0.69 AOC1 (0.42) ALDH1A1MAPTKDM4E
SCHEMBL793757 0.69 AOC1 (0.42) ALDH1A1MAPTKDM4E
SCHEMBL247570 0.69 ALDH1A1 (0.50) ALDH1A1MAPTPDK2KDM4ECYP3A4
SCHEMBL31178978 0.68 AXL (0.49) ALDH1A1PDK2KDM4EPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322190-B Pyridoimidazole acyl sulfonamide derivative, and preparation method and application thereof 山东大学 2023-09-22 — — CN disclosed
CN-115322190-A Pyridoimidazole acylsulfonamide derivative and preparation method and application thereof 山东大学 2022-11-11 — — CN disclosed
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 118/4885ALDH1A1 446/4885MAPT 2058/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 SLC22A12 163/4885ALDH1A1 473/4885MAPT 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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