SCHEMBL685066

SCHEMBL685066

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 2/20 0.55
ALDH1A1 P00352 4/20 0.49
GAA P10253 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM1A O60341 1/20 0.47
MTOR P42345 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
CASP6 P55212 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TTR P02766 1/20 0.45
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
PHGDH O43175 1/20 0.43
CRHBP P24387 2/20 0.43
CRHR2 Q13324 2/20 0.43

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 0.87 ALDH1A1 (0.55) ALDH1A1GAAMAPTSMN1; SMN2KDM1A
SCHEMBL684904 0.87 ALDH1A1 (0.60) ALDH1A1GAAMAPTSMN1; SMN2KDM1A
SCHEMBL684704 0.86 MEN1 (0.54) ALDH1A1GAAMAPTSMN1; SMN2KDM1A
SCHEMBL684906 0.86 ALDH1A1 (0.51) ALDH1A1GAAMAPTSMN1; SMN2KDM1A
SCHEMBL685352 0.84 SMN1; SMN2 (0.58) ALDH1A1GAAMAPTSMN1; SMN2KDM1A
SCHEMBL684040 0.81 CYP3A4 (0.57) P2RX1ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL683861 0.81 POLB (0.59) ALDH1A1GAAMAPTSMN1; SMN2MEN1
SCHEMBL684677 0.81 KDM1A (0.50) GAAMAPTSMN1; SMN2KDM1AMTOR
SCHEMBL684846 0.80 MEN1 (0.58) ALDH1A1GAAMAPTSMN1; SMN2KDM1A
SCHEMBL683863 0.80 KDM1A (0.52) ALDH1A1GAAMAPTSMN1; 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 4 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-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 P2RX1 2503/4885ALDH1A1 127/4885GAA 670/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 P2RX1 2807/4885ALDH1A1 115/4885GAA 386/4885

“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.