SCHEMBL684872

SCHEMBL684872

COc1cccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.61
KDM4E B2RXH2 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
USP2 O75604 1/20 0.61
MCOLN3 Q8TDD5 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 6/20 0.56
MCL1 Q07820 1/20 0.56
PIK3CG P48736 1/20 0.55
KDM1A O60341 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
ALDH1A1 P00352 2/20 0.54
BLM P54132 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
PSMD14 O00487 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53

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
SCHEMBL684630 0.89 SIRT1 (0.61) NPC1KDM4EMEN1KMT2ATDP1
SCHEMBL684781 0.89 KMT2A (0.63) NPC1KDM4EMEN1KMT2AUSP2
SCHEMBL684499 0.88 LMNA (0.60) NPC1KDM4EMEN1KMT2AUSP2
SCHEMBL685144 0.88 MEN1 (0.60) NPC1KDM4EMEN1KMT2AUSP2
SCHEMBL683742 0.87 KMT2A (0.69) NPC1KDM4EMEN1KMT2AUSP2
SCHEMBL13561183 0.86 MAPT (0.69) NPC1KDM4EMEN1KMT2AMAPT
SCHEMBL678880 0.86 KMT2A (0.58) NPC1KDM4EMEN1KMT2AUSP2
SCHEMBL684975 0.86 KMT2A (0.58) NPC1KDM4EMEN1KMT2AUSP2
SCHEMBL685159 0.86 NPC1 (0.70) NPC1KDM4EMEN1KMT2AUSP2
SCHEMBL684843 0.85 KDM1A (0.63) NPC1KDM4EMEN1KMT2AL3MBTL1

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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, SOD3 NPC1 1690/4885KDM4E 1473/4885MEN1 536/4885

“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.