SCHEMBL20063056

SCHEMBL20063056

CNc1nc(N(C)C)nc(N(C)C(=O)CC(C)=O)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
LMNA P02545 4/20 0.42
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 2/20 0.36
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
CREBBP Q92793 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALOX12 P18054 1/20 0.35
PDE4A P27815 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
SCHEMBL9988581 0.78 POLB (0.50) POLBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL13985266 0.77 POLB (0.49) POLBLMNAALDH1A1SMN1; SMN2KDM4E
Altretamine SCHEMBL4448907 0.76 LMNA (0.61) POLBLMNAALDH1A1SMN1; SMN2KDM4E
Pentamethyl Melamine SCHEMBL38832 0.76 LMNA (0.61) POLBLMNAALDH1A1SMN1; SMN2KDM4E
Pentamethyl Melamine SCHEMBL15346326 0.74 LMNA (0.58) POLBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL1033226 0.72 CYP1A2 (0.53) POLBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL13052601 0.72 POLB (0.44) POLBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL2476635 0.72 POLB (0.41) POLBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL13052626 0.70 POLB (0.40) POLBLMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL9132750 0.68 LMNA (0.55) POLBLMNAALDH1A1SMN1; SMN2KDM4E

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-20180105618-A1 N-HALAMINE MELAMINE DERIVATIVES AS NOVEL DECONTAMINATION AND BIOCIDAL AGENTS STATE OF ISRAEL PRIME MINISTER'S OFFICE ISRAEL INSTITUTE FOR BIOLOGICAL RESEARCH (IL) 2018-04-19 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-20180105618-A1 N-HALAMINE MELAMINE DERIVATIVES AS NOVEL DECONTAMINATION AND BIOCIDAL AGENTS HNMT, CAT, TYR POLB 1415/4885LMNA 1687/4885ALDH1A1 946/4885

“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.