SCHEMBL21049176

SCHEMBL21049176

Sc1nc2cccnc2n1-c1cccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
TP53 P04637 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
HCAR1 Q9BXC0 3/20 0.36
GSR P00390 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
HPGD P15428 2/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 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
SCHEMBL21049189 0.80 SLC22A12 (0.45) CYP3A4TP53CYP1A2CYP2C19PDE4B
SCHEMBL12551390 0.80 AKT1 (0.43) CYP3A4NPC1MAPK1TP53ALDH1A1
SCHEMBL13998688 0.80 ALDH1A1 (0.43) TP53ALDH1A1KDM4ELMNAHTT
SCHEMBL12565558 0.78 GSR (0.51) NPC1MAPK1TP53ALDH1A1KDM4E
SCHEMBL2618363 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ELMNAHPGDGAA
SCHEMBL21316851 0.76 PDE4B (0.49) TP53ALDH1A1KDM4ECYP2C19MEN1
SCHEMBL21094240 0.76 ALDH1A1 (0.43) CYP3A4NPC1MAPK1TP53ALDH1A1
SCHEMBL19851108 0.76 ALDH1A1 (0.40) CYP3A4NPC1MAPK1TP53ALDH1A1
SCHEMBL21093621 0.76 ALDH1A1 (0.49) CYP3A4NPC1MAPK1ALDH1A1LMNA
SCHEMBL9670692 0.76 LMNA (0.58) NPC1TP53ALDH1A1KDM4ELMNA

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 CYP3A4 1101/4885NPC1 194/4885MAPK1 550/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 CYP3A4 990/4885NPC1 244/4885MAPK1 605/4885

“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.