SCHEMBL684632

SCHEMBL684632

Cc1cc(C)cc(C(=O)N/N=C/c2cc(Cl)cc(Br)c2O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 9/20 0.60
MEN1 O00255 8/20 0.52
KMT2A Q03164 8/20 0.52
KDM4E B2RXH2 5/20 0.52
MAPT P10636 4/20 0.52
LMNA P02545 4/20 0.52
NPC1 O15118 3/20 0.52
HTT P42858 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PIK3CG P48736 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
USP2 O75604 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PKM P14618 1/20 0.52
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 4/20 0.50
POLB P06746 2/20 0.50

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
SCHEMBL684979 0.89 SIRT1 (0.77) SIRT1MEN1KMT2AKDM4EMAPT
SCHEMBL684643 0.88 SIRT1 (0.59) SIRT1MEN1KMT2AKDM4EMAPT
SCHEMBL683761 0.87 MEN1 (0.67) SIRT1MEN1KMT2AKDM4EMAPT
SCHEMBL685186 0.87 MEN1 (0.67) SIRT1MEN1KMT2AKDM4EMAPT
SCHEMBL684819 0.85 SIRT1 (0.81) SIRT1MEN1KMT2AKDM4EMAPT
SCHEMBL16079425 0.84 KDM4E (0.60) SIRT1MEN1KMT2AKDM4EMAPT
SCHEMBL684936 0.84 SIRT1 (0.67) SIRT1MEN1KMT2AKDM4EMAPT
SCHEMBL684776 0.82 SIRT1 (0.70) SIRT1MEN1KMT2AKDM4EMAPT
SCHEMBL14907036 0.82 KDM4E (0.58) SIRT1MEN1KMT2AKDM4EMAPT
SCHEMBL684804 0.82 MEN1 (0.67) SIRT1MEN1KMT2AKDM4EMAPT

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-8461078-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES LLC (US) 2013-06-11 US disclosed
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-05-03 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 SIRT1 2400/4885MEN1 536/4885KMT2A 1362/4885
US-20120107416-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 SIRT1 1977/4885MEN1 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.