SCHEMBL683863

SCHEMBL683863

C/C(=N\NC(=O)c1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.52
ALDH1A1 P00352 5/20 0.50
G6PD P11413 1/20 0.50
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 4/20 0.49
GAA P10253 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.48
CASP6 P55212 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL684906 0.89 ALDH1A1 (0.51) KDM1AALDH1A1G6PDCRHBPCRHR2
SCHEMBL683861 0.88 POLB (0.59) ALDH1A1CRHBPCRHR2LMNASMN1; SMN2
SCHEMBL684904 0.87 ALDH1A1 (0.60) KDM1AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL684029 0.83 KDM1A (0.58) KDM1AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL685246 0.83 ALDH1A1 (0.55) KDM1AALDH1A1CRHBPCRHR2LMNA
SCHEMBL684674 0.83 ALDH1A1 (0.53) ALDH1A1CRHBPCRHR2LMNASMN1; SMN2
SCHEMBL684704 0.82 MEN1 (0.54) KDM1AALDH1A1CRHBPCRHR2LMNA
SCHEMBL685255 0.81 KDM1A (0.55) KDM1AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL684846 0.80 MEN1 (0.58) KDM1AALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL7800493 0.80 ALDH1A1 (0.58) ALDH1A1CRHBPCRHR2LMNASMN1; 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 KDM1A 484/4885ALDH1A1 127/4885G6PD 401/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885ALDH1A1 115/4885G6PD 434/4885

“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.