SCHEMBL684902

SCHEMBL684902

COc1cc(O)c(/C(C)=N/NC(=O)c2ccc(Br)cc2)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 1/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
CYP3A4 P08684 4/20 0.51
RAB9A P51151 4/20 0.51
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 3/20 0.51
NPC1 O15118 3/20 0.51
NFKB1 P19838 1/20 0.51
CASP3 P42574 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
MAPK1 P28482 2/20 0.50
USP2 O75604 1/20 0.50
CYP2D6 P10635 1/20 0.50
CA1 P00915 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
SCHEMBL684731 0.92 CYP3A4 (0.60) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL684898 0.89 SMN1; SMN2 (0.51) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL684083 0.88 MAPT (0.52) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL685077 0.88 SMN1; SMN2 (0.52) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL684908 0.86 MTOR (0.49) MAPTSMN1; SMN2CYP3A4RAB9ACYP2C19
SCHEMBL685163 0.82 MAPT (0.61) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL685329 0.81 MAPT (0.57) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL684901 0.81 RAB9A (0.50) MAPTMEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL685376 0.80 SMN1; SMN2 (0.57) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL684753 0.78 ALDH1A1 (0.51) MAPTMEN1KMT2AKDM4ESMN1; 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 MAPT 1491/4885MEN1 536/4885KMT2A 1362/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MAPT 921/4885MEN1 508/4885KMT2A 1224/4885

“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.