SCHEMBL684671

SCHEMBL684671

C/C(=N\NC(=O)c1ccccc1C)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
ALDH1A1 P00352 7/20 0.54
RECQL P46063 1/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 3/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KCNMA1 Q12791 1/20 0.50
ATM Q13315 1/20 0.49
MITF O75030 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
RAB9A P51151 1/20 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
SCHEMBL684846 0.89 MEN1 (0.58) ALDH1A1RECQLMEN1KMT2AGAA
SCHEMBL684674 0.87 ALDH1A1 (0.53) CRHBPCRHR2ALDH1A1RECQLMEN1
SCHEMBL685075 0.87 MEN1 (0.57) CRHBPCRHR2ALDH1A1RECQLMEN1
SCHEMBL684904 0.86 ALDH1A1 (0.60) ALDH1A1RECQLMEN1KMT2AGAA
SCHEMBL685246 0.84 ALDH1A1 (0.55) CRHBPCRHR2ALDH1A1RECQLMEN1
SCHEMBL7800493 0.84 ALDH1A1 (0.58) CRHBPCRHR2ALDH1A1RECQLMEN1
SCHEMBL683861 0.82 POLB (0.59) CRHBPCRHR2ALDH1A1RECQLMEN1
SCHEMBL684906 0.81 ALDH1A1 (0.51) CRHBPCRHR2ALDH1A1RECQLMEN1
SCHEMBL684704 0.81 MEN1 (0.54) CRHBPCRHR2ALDH1A1RECQLMEN1
SCHEMBL684694 0.80 KMT2A (0.56) ALDH1A1RECQLMEN1KMT2AMAPK1

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 CRHBP 4150/4885CRHR2 4251/4885ALDH1A1 127/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 CRHBP 4103/4885CRHR2 4503/4885ALDH1A1 115/4885

“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.