SCHEMBL685042

SCHEMBL685042

O=C(N/N=C/c1c(Cl)ccc(Cl)c1O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.55
POLB P06746 4/20 0.55
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
KDM4E B2RXH2 3/20 0.54
OPRK1 P41145 1/20 0.54
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
PHGDH O43175 1/20 0.53
ALDH1A1 P00352 3/20 0.52
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
BLM P54132 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
IKBKB O14920 1/20 0.50
USP2 O75604 1/20 0.49

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
SCHEMBL685073 0.90 PHGDH (0.54) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684756 0.86 DUSP3 (0.64) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL683990 0.85 MAPT (0.56) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684752 0.84 RAB9A (0.56) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684234 0.83 MAPT (0.60) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684641 0.83 MAPT (0.58) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684208 0.83 RAB9A (0.60) MAPTPOLBMEN1KMT2ASMN1; SMN2
SCHEMBL683966 0.82 MAPT (0.58) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL684974 0.81 CYP1A2 (0.56) MAPTPOLBMEN1KMT2AKDM4E
SCHEMBL683745 0.80 MEN1 (0.67) MAPTPOLBMEN1KMT2AKDM4E

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-8715745-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC. (US) 2014-05-06 US disclosed
US-8715745-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC. (US) 2014-05-06 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
US-20120009274-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-12 US disclosed
US-20120009274-A1 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 MAPT 1491/4885POLB 4572/4885MEN1 536/4885
US-20120009274-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MAPT 921/4885POLB 4241/4885MEN1 508/4885

“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.