SCHEMBL20149816

SCHEMBL20149816

CC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)[C@H](N=[N+]=[N-])[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.51
TAS1R1 Q7RTX1 1/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HIF1A Q16665 1/20 0.47
HPGD P15428 1/20 0.41
HINT1 P49773 3/20 0.41
IMPDH2 P12268 4/20 0.40
IMPDH1 P20839 1/20 0.40
STING1 Q86WV6 1/20 0.39
NOS1 P29475 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL19491658 1.00 TAS1R3 (0.51) TAS1R3TAS1R1KDM4EALDH1A1HIF1A
SCHEMBL18510828 0.94 TAS1R3 (0.53) TAS1R3TAS1R1KDM4EALDH1A1HIF1A
SCHEMBL20149818 0.94 TAS1R3 (0.53) TAS1R3TAS1R1KDM4EALDH1A1HIF1A
SCHEMBL18954932 0.94 ALDH1A1 (0.55) TAS1R3TAS1R1KDM4EALDH1A1HIF1A
SCHEMBL18954935 0.94 ALDH1A1 (0.55) TAS1R3TAS1R1KDM4EALDH1A1HIF1A
SCHEMBL19503072 0.94 ALDH1A1 (0.55) TAS1R3TAS1R1KDM4EALDH1A1HIF1A
SCHEMBL20149814 0.92 KDM4E (0.48) TAS1R3TAS1R1KDM4EALDH1A1HIF1A
SCHEMBL25496782 0.91 KDM4E (0.51) TAS1R3TAS1R1KDM4EALDH1A1HIF1A
SCHEMBL23630081 0.89 KDM4E (0.54) TAS1R3TAS1R1KDM4EALDH1A1HIF1A
SCHEMBL23630085 0.89 KDM4E (0.54) TAS1R3TAS1R1KDM4EALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180135054-A1 MODIFIED OLIGONUCLEOTIDES AND METHODS OF USE ALIOS BIOPHARMA, INC. (US) 2018-05-17 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 (1 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-20180135054-A1 MODIFIED OLIGONUCLEOTIDES AND METHODS OF USE NSUN2, ADAR, POLM TAS1R3 4579/4885TAS1R1 4780/4885KDM4E 2928/4885

“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.