SCHEMBL684038

SCHEMBL684038

C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
KDM1A O60341 3/20 0.57
NPC1 O15118 9/20 0.55
RAB9A P51151 7/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
AGTR1 P30556 1/20 0.54
OPRK1 P41145 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA9 Q16790 1/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 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
SCHEMBL685108 0.91 CYP3A4 (0.57) CYP3A4KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL683714 0.90 CYP3A4 (0.64) CYP3A4KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL423694 0.90 CYP3A4 (0.64) CYP3A4KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL685348 0.90 RAB9A (0.59) CYP3A4KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL16281502 0.88 RAB9A (0.65) CYP3A4KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL684040 0.87 CYP3A4 (0.57) CYP3A4KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL684831 0.87 GAA (0.55) CYP3A4KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL684029 0.87 KDM1A (0.58) CYP3A4KDM1ARAB9ASMN1; SMN2L3MBTL1
SCHEMBL10053226 0.86 NPC1 (0.54) CYP3A4KDM1ANPC1RAB9ASMN1; SMN2
SCHEMBL684710 0.86 LMNA (0.55) CYP3A4KDM1ANPC1RAB9ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
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
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 484/4885NPC1 1690/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 CYP3A4 71/4885KDM1A 291/4885NPC1 1052/4885

“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.