SCHEMBL423694

SCHEMBL423694

CC(=NNC(=O)c1ccccc1)c1cccc(Cl)c1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.64
KDM1A O60341 2/20 0.62
RAB9A P51151 8/20 0.62
NPC1 O15118 7/20 0.62
SMN1; SMN2 Q16637 7/20 0.62
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
NFKB1 P19838 1/20 0.52
CASP3 P42574 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
MAPT P10636 3/20 0.52
GLA P06280 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL683714 1.00 CYP3A4 (0.64) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL684038 0.90 CYP3A4 (0.59) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL685108 0.89 CYP3A4 (0.57) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL685054 0.89 MAPT (0.61) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL27177903 0.88 CYP3A4 (0.79) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL27177899 0.88 CYP3A4 (0.79) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL685348 0.88 RAB9A (0.59) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL684029 0.88 KDM1A (0.58) CYP3A4KDM1ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL684697 0.87 MAPT (0.55) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2
SCHEMBL684699 0.86 KDM1A (0.57) CYP3A4KDM1ARAB9ANPC1SMN1; SMN2

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-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 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 (2 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 CYP3A4 48/4885KDM1A 484/4885RAB9A 3846/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 CYP3A4 71/4885KDM1A 291/4885RAB9A 3616/4885

“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.