SCHEMBL6749874

SCHEMBL6749874

O=C(N/N=C\c1cc(O)c(O)cc1O)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ECE2 P0DPD6 1/20 0.66
ECE1 P42892 1/20 0.66
MUS81 Q96NY9 1/20 0.66
SIRT1 Q96EB6 1/20 0.63
KDM1A O60341 3/20 0.60
MAOA P21397 1/20 0.60
MAOB P27338 1/20 0.60
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
AR P10275 1/20 0.57
GCGR P47871 1/20 0.57
ALOX5 P09917 1/20 0.55
PTGS2 P35354 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL6749878 1.00 ECE2 (0.66) ECE2ECE1MUS81SIRT1KDM1A
SCHEMBL19283328 0.88 KDM1A (0.70) ECE2ECE1MUS81SIRT1KDM1A
SCHEMBL19283329 0.88 KDM1A (0.70) ECE2ECE1MUS81SIRT1KDM1A
SCHEMBL684875 0.87 KDM1A (0.64) SIRT1KDM1AMAOAMAOBNPC1
SCHEMBL6752033 0.85 KDM1A (0.71) ECE2ECE1MUS81SIRT1KDM1A
SCHEMBL6568355 0.85 KDM1A (0.69) SIRT1KDM1AMAOAMAOBNPC1
SCHEMBL6752035 0.85 KDM1A (0.71) ECE2ECE1MUS81SIRT1KDM1A
SCHEMBL8343578 0.85 SIRT1 (0.85) SIRT1KDM1AMAOAMAOBNPC1
SCHEMBL6568358 0.85 KDM1A (0.69) SIRT1KDM1AMAOAMAOBNPC1
SCHEMBL8343583 0.85 SIRT1 (0.85) SIRT1KDM1AMAOAMAOBNPC1

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-20040110963-A1 Novel hydrazones ARPIDA AG (CH) 2004-06-10 US claimed

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-20040110963-A1 Novel hydrazones H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HK1, MPO ECE2 526/4885ECE1 520/4885MUS81 3583/4885

“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.