SCHEMBL684699

SCHEMBL684699

C/C(=N\NC(=O)c1ccccc1O)c1cccc(Cl)c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 4/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 3/20 0.54
LMNA P02545 2/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 4/20 0.54
KDM4E B2RXH2 4/20 0.53
CYP3A4 P08684 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
AGTR1 P30556 1/20 0.52
OPRK1 P41145 1/20 0.52
THRB P10828 1/20 0.50
HTT P42858 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
SCHEMBL685054 0.92 MAPT (0.61) KDM1ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL684694 0.88 KMT2A (0.56) KDM1ASMN1; SMN2RAB9AMAPTALDH1A1
SCHEMBL684651 0.87 KDM1A (0.65) KDM1ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL685058 0.86 NPC1 (0.59) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL683714 0.86 CYP3A4 (0.64) KDM1ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL423694 0.86 CYP3A4 (0.64) KDM1ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL685082 0.85 KDM1A (0.58) KDM1ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL23701490 0.85 KDM1A (0.74) KDM1ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL684855 0.85 KDM1A (0.74) KDM1ASMN1; SMN2RAB9ANPC1MAPT
SCHEMBL684038 0.82 CYP3A4 (0.59) KDM1ASMN1; SMN2RAB9ANPC1MAPT

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 KDM1A 484/4885SMN1; SMN2 4107/4885RAB9A 3846/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885SMN1; SMN2 3775/4885RAB9A 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.