SCHEMBL684906

SCHEMBL684906

C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM1A O60341 2/20 0.51
G6PD P11413 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
PHGDH O43175 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
AGTR1 P30556 1/20 0.48

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
SCHEMBL685246 0.89 ALDH1A1 (0.55) ALDH1A1MAPTGAASMN1; SMN2KDM1A
SCHEMBL684904 0.89 ALDH1A1 (0.60) ALDH1A1MAPTGAASMN1; SMN2KDM1A
SCHEMBL683863 0.89 KDM1A (0.52) ALDH1A1MAPTGAASMN1; SMN2KDM1A
SCHEMBL684704 0.88 MEN1 (0.54) ALDH1A1MAPTGAASMN1; SMN2KDM1A
SCHEMBL685066 0.86 P2RX1 (0.55) ALDH1A1MAPTGAASMN1; SMN2KDM1A
SCHEMBL685352 0.86 SMN1; SMN2 (0.58) ALDH1A1MAPTGAASMN1; SMN2KDM1A
SCHEMBL684674 0.85 ALDH1A1 (0.53) ALDH1A1MAPTGAASMN1; SMN2CRHBP
SCHEMBL683861 0.83 POLB (0.59) ALDH1A1MAPTGAASMN1; SMN2CRHBP
SCHEMBL684038 0.83 CYP3A4 (0.59) ALDH1A1MAPTGAASMN1; SMN2KDM1A
SCHEMBL684846 0.82 MEN1 (0.58) ALDH1A1MAPTGAASMN1; SMN2KDM1A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906829-B2 Synergistic algicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES LLC (US) 2014-12-09 US disclosed
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-20120046170-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-02-23 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 (3 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 ALDH1A1 127/4885MAPT 1491/4885GAA 670/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 ALDH1A1 115/4885MAPT 921/4885GAA 386/4885
US-20120046170-A1 SYNERGISTIC ALGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER ALG1, SOD1, DHPS ALDH1A1 238/4885MAPT 3866/4885GAA 400/4885

“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.