SCHEMBL684584

SCHEMBL684584

COc1ccc(O)c(/C(C)=N/NC(=O)c2ccc(C)cc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.54
GAA P10253 4/20 0.53
MAPT P10636 10/20 0.52
CYP1A2 P05177 1/20 0.52
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
SMN1; SMN2 Q16637 6/20 0.51
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
HTT P42858 4/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
USP2 O75604 1/20 0.49
TP53 P04637 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL685128 0.93 GAA (0.56) KDM1AGAAMAPTCYP1A2RAB9A
SCHEMBL13568924 0.91 KDM1A (0.55) KDM1AGAAMAPTCYP1A2RAB9A
SCHEMBL684993 0.90 MAPT (0.61) KDM1AGAAMAPTCYP1A2RAB9A
SCHEMBL683856 0.89 KDM1A (0.66) KDM1AGAAMAPTCYP1A2RAB9A
SCHEMBL683846 0.89 KDM1A (0.69) KDM1AGAAMAPTCYP1A2RAB9A
SCHEMBL683850 0.87 MAPT (0.58) KDM1AGAAMAPTRAB9ANPC1
SCHEMBL684598 0.87 KDM1A (0.61) KDM1AGAAMAPTRAB9ANPC1
SCHEMBL12387944 0.85 MAPT (0.58) KDM1AGAAMAPTRAB9ANPC1
SCHEMBL684840 0.84 KDM1A (0.73) KDM1AGAAMAPTCYP1A2RAB9A
SCHEMBL685351 0.84 GAA (0.55) KDM1AGAAMAPTCYP1A2RAB9A

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-20120010075-A1 SYNERGISTIC FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
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 KDM1A 484/4885GAA 670/4885MAPT 1491/4885

“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.