SCHEMBL684572

SCHEMBL684572

O=C(N/N=C/c1c(O)ccc(Cl)c1Cl)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
PAX8 Q06710 1/20 0.52
RRM1 P23921 2/20 0.52
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C19 P33261 1/20 0.50
GAA P10253 1/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
IDO1 P14902 1/20 0.49
KLF5 Q13887 1/20 0.49
GCGR P47871 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 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
SCHEMBL684571 0.84 CYP1A2 (0.61) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL684974 0.83 CYP1A2 (0.56) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL684203 0.81 RAB9A (0.56) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL685235 0.80 KDM1A (0.54) NPC1MEN1KMT2ARRM1RAB9A
SCHEMBL2847708 0.78 MEN1 (0.85) NPC1MEN1KMT2APAX8RRM1
SCHEMBL683715 0.78 MEN1 (0.85) NPC1MEN1KMT2APAX8RRM1
SCHEMBL20299179 0.77 MGAM (0.60) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL20299177 0.77 MGAM (0.60) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL684575 0.76 NPC1 (0.58) NPC1MEN1KMT2APAX8RAB9A
SCHEMBL685236 0.76 KMT2A (0.55) NPC1MEN1KMT2APAX8RAB9A

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 NPC1 1690/4885MEN1 536/4885KMT2A 1362/4885
US-20120009274-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 NPC1 1052/4885MEN1 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.