SCHEMBL684562

SCHEMBL684562

COc1cc(Br)cc(/C=N/NC(=O)c2cc(C)cc(C)c2)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.57
KDM4E B2RXH2 7/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
KMT2A Q03164 9/20 0.55
NPC1 O15118 4/20 0.55
HTT P42858 4/20 0.55
KLF5 Q13887 2/20 0.55
MITF O75030 2/20 0.55
RAB9A P51151 1/20 0.55
L3MBTL1 Q9Y468 4/20 0.54
PSMD14 O00487 1/20 0.54
MMP2 P08253 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 8/20 0.53
ERN1 O75460 3/20 0.52
MAPK1 P28482 2/20 0.52
SIRT1 Q96EB6 1/20 0.52
PIK3CG P48736 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL684649 0.89 SIRT1 (0.67) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL683810 0.86 MAPT (0.65) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL21192738 0.86 MAPT (0.65) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL685186 0.85 MEN1 (0.67) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL21145655 0.84 MAPT (0.73) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL21145652 0.84 MAPT (0.73) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL21145646 0.84 MAPT (0.61) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL684953 0.84 SIRT1 (0.64) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL684559 0.84 MAPT (0.61) MAPTKDM4ESMN1; SMN2LMNAKMT2A
SCHEMBL12443277 0.84 KMT2A (0.73) MAPTKDM4ESMN1; SMN2LMNAKMT2A

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 MAPT 1491/4885KDM4E 1473/4885SMN1; SMN2 4107/4885

“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.