SCHEMBL15502425

SCHEMBL15502425

N=C(NC(=N)N1CCOCC1)N1CCNCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.36
CA12 O43570 4/20 0.34
CA1 P00915 4/20 0.34
CA9 Q16790 4/20 0.34
CA2 P00918 4/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
PHGDH O43175 1/20 0.33
ALDH2 P05091 1/20 0.33
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
MGLL Q99685 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CHKA P35790 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL16791197 0.87 LMNA (0.46) LMNAHTTCA12CA1CA9
Hydrochloric Acid SCHEMBL15537607 0.85 LMNA (0.45) LMNAHTTCA12CA1CA9
SCHEMBL22663957 0.81 MEN1 (0.45) LMNAHTTCA12CA1CA9
SCHEMBL16791174 0.79 KMT2A (0.43) LMNACA12CA1CA9CA2
Moroxydine SCHEMBL246710 0.79 LMNA (0.50) LMNAHTTCA12CA1CA9
Moroxydine SCHEMBL8166651 0.79 LMNA (0.50) LMNAHTTCA12CA1CA9
Moroxydine SCHEMBL1447794 0.78 LMNA (0.48) LMNAHTTCA12CA1CA9
Moroxydine SCHEMBL92735 0.78 LMNA (0.48) LMNAHTTCA12CA1CA9
Moroxydine SCHEMBL27849674 0.78 LMNA (0.48) LMNAHTTCA12CA1CA9
SCHEMBL15502424 0.77 CA2 (0.37) CA12CA1CA9CA2CHKA

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-20140073631-A1 ANTIVIRAL AND ANTIMICROBIAL COMPOUNDS VYMED CORPORATION (US) 2014-03-13 US disclosed
US-20140073631-A1 ANTIVIRAL AND ANTIMICROBIAL COMPOUNDS VYMED CORPORATION (US) 2014-03-13 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-20140073631-A1 ANTIVIRAL AND ANTIMICROBIAL COMPOUNDS GDA, GMPS, GANC LMNA 3327/4885HTT 2639/4885CA12 4824/4885

“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.