SCHEMBL684880

SCHEMBL684880

CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.70
KDM4E B2RXH2 3/20 0.70
MEN1 O00255 3/20 0.70
NPC1 O15118 2/20 0.70
USP2 O75604 1/20 0.70
MCOLN3 Q8TDD5 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
LMNA P02545 3/20 0.60
RAB9A P51151 3/20 0.60
NPSR1 Q6W5P4 1/20 0.60
PIK3CG P48736 1/20 0.60
ALOX5 P09917 2/20 0.58
PTGS2 P35354 2/20 0.58
ESRRG P62508 4/20 0.56
SIRT1 Q96EB6 1/20 0.55
KDM1A O60341 2/20 0.54
HTT P42858 2/20 0.52
PSMD14 O00487 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL684862 0.89 KDM4E (0.79) KMT2AKDM4EMEN1NPC1USP2
SCHEMBL684865 0.88 KDM4E (0.74) KMT2AKDM4EMEN1NPC1USP2
SCHEMBL684490 0.88 KMT2A (0.73) KMT2AKDM4EMEN1NPC1USP2
SCHEMBL684848 0.86 NPC1 (0.75) KMT2AKDM4EMEN1NPC1USP2
SCHEMBL684976 0.85 MEN1 (0.70) KMT2AKDM4EMEN1NPC1USP2
SCHEMBL684759 0.85 KDM4E (0.70) KMT2AKDM4EMEN1NPC1USP2
SCHEMBL684570 0.85 MEN1 (0.73) KMT2AKDM4EMEN1NPC1USP2
SCHEMBL6570259 0.85 NPC1 (0.77) KMT2AKDM4EMEN1NPC1USP2
SCHEMBL6570260 0.85 NPC1 (0.77) KMT2AKDM4EMEN1NPC1USP2
SCHEMBL685119 0.85 NPC1 (0.77) KMT2AKDM4EMEN1NPC1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 KMT2A 1362/4885KDM4E 1473/4885MEN1 536/4885

“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.