SCHEMBL21243035

SCHEMBL21243035

NCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 5/20 0.84
DNMT3B Q9UBC3 3/20 0.84
PNMT P11086 2/20 0.84
DNMT1 P26358 2/20 0.84
AHCY P23526 7/20 0.81
NADK O95544 1/20 0.81
PRMT7 Q9NVM4 2/20 0.80
KMT2A Q03164 2/20 0.73
DPP4 P27487 1/20 0.73
MEN1 O00255 1/20 0.73
SLC28A1 O00337 1/20 0.73
MAP3K7 O43318 1/20 0.73
SLC28A2 O43868 1/20 0.73
GAPDH P04406 1/20 0.73
ADORA3 P0DMS8 1/20 0.73
MAPK1 P28482 1/20 0.73
ADORA2A P29274 1/20 0.73
ADORA2B P29275 1/20 0.73
ADORA1 P30542 1/20 0.73
STAT6 P42226 1/20 0.73

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
SCHEMBL14174635 0.91 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1AHCY
SCHEMBL16272276 0.91 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1AHCY
SCHEMBL8572440 0.91 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1AHCY
SCHEMBL5055464 0.91 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1AHCY
SCHEMBL8943671 0.90 DOT1L (0.86) DOT1LDNMT3BPNMTDNMT1AHCY
SCHEMBL8943656 0.90 DOT1L (0.86) DOT1LDNMT3BPNMTDNMT1AHCY
SCHEMBL2115821 0.90 AHCY (0.79) DOT1LDNMT3BPNMTDNMT1AHCY
SCHEMBL998091 0.90 AHCY (0.79) DOT1LDNMT3BPNMTDNMT1AHCY
SCHEMBL1398379 0.89 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1AHCY
SCHEMBL10665713 0.89 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1AHCY

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-11091509-B2 HPPK inhibitors useful as antibacterial agents THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-08-17 US disclosed
US-20190241605-A1 HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2019-08-08 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-20190241605-A1 HPPK INHIBITORS USEFUL AS ANTIBACTERIAL AGENTS PDXK, PHKG1, DTYMK DOT1L 3222/4885DNMT3B 2237/4885PNMT 2757/4885
US-11091509-B2 HPPK inhibitors useful as antibacterial agents PDXK, PHKG1, DTYMK DOT1L 3222/4885DNMT3B 2237/4885PNMT 2757/4885

“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.