SCHEMBL21418943

SCHEMBL21418943

[N-]=[N+]=NC1(COC(=O)c2cccc(Cl)c2)O[C@@H](n2ccc(=O)[nH]c2=O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.36
USP2 O75604 1/20 0.36
KMT2A Q03164 1/20 0.36
P2RY2 P41231 8/20 0.35
P2RY6 Q15077 3/20 0.35
P2RY14 Q15391 1/20 0.35
GAPDH P04406 1/20 0.34
HSD17B10 Q99714 1/20 0.33
P2RY12 Q9H244 3/20 0.33
BCHE P06276 1/20 0.31
P2RY4 P51582 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 1/20 0.30
NT5E P21589 1/20 0.30

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
SCHEMBL16576220 1.00 POLB (0.36) POLBMEN1USP2KMT2AP2RY2
SCHEMBL14102275 1.00 POLB (0.36) POLBMEN1USP2KMT2AP2RY2
SCHEMBL17972480 1.00 POLB (0.36) POLBMEN1USP2KMT2AP2RY2
SCHEMBL15281799 0.93 POLB (0.41) POLBMEN1USP2KMT2AP2RY2
SCHEMBL13592886 0.93 POLB (0.41) POLBMEN1USP2KMT2AP2RY2
SCHEMBL17972463 0.93 GAPDH (0.34) POLBMEN1USP2KMT2AP2RY2
SCHEMBL21418945 0.93 GAPDH (0.34) POLBMEN1USP2KMT2AP2RY2
SCHEMBL26976634 0.93 GAPDH (0.34) POLBMEN1USP2KMT2AP2RY2
SCHEMBL16576221 0.93 GAPDH (0.34) POLBMEN1USP2KMT2AP2RY2
SCHEMBL17958878 0.93 GAPDH (0.34) POLBMEN1USP2KMT2AP2RY2

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-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections EMORY UNIVERSITY (US) 2021-11-09 US disclosed
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto DEFENSE THREAT REDUCTION AGENCY, US DOD 2019-10-03 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-11166973-B2 Substituted nucleotides and nucleosides for treating viral infections PNP, TYMP, HPRT1 POLB 228/4885MEN1 3716/4885USP2 4321/4885
US-20190298750-A1 Nucleotide and Nucleoside Therapeutic Compositions and Uses Related Thereto PNP, NTPCR, TYMP POLB 230/4885MEN1 3476/4885USP2 4116/4885

“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.