SCHEMBL21189138

SCHEMBL21189138

CCOCCCCSc1nc2cccnc2n1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL21093540 0.87 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL23954453 0.83 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851102 0.83 TSHR (0.52) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL21093621 0.83 ALDH1A1 (0.49) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851073 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851100 0.78 TSHR (0.66) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL23954456 0.76 ALDH1A1 (0.47) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851127 0.75 SLC22A12 (0.45) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851103 0.75 ALDH1A1 (0.53) ALDH1A1MAPK1HPGDCYP1A2CYP3A4
SCHEMBL19851096 0.74 TSHR (0.56) ALDH1A1MAPK1HPGDCYP1A2CYP3A4

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 2 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

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 ALDH1A1 446/4885MAPK1 550/4885HPGD 1753/4885
US-10399978-B2 Imidazopyridine thioglycolic acid derivatives as potent inhibitors of human urate transporter 1 SLC29A1, SLC28A1, SLC5A1 ALDH1A1 473/4885MAPK1 605/4885HPGD 1343/4885

“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.