SCHEMBL684776

SCHEMBL684776

O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1ccc(F)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 7/20 0.70
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
KDM4E B2RXH2 4/20 0.59
RAB9A P51151 4/20 0.59
LMNA P02545 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
POLB P06746 2/20 0.59
PSMD14 O00487 1/20 0.59
MMP2 P08253 1/20 0.59
BLM P54132 1/20 0.59
MAPT P10636 5/20 0.58
NPC1 O15118 4/20 0.58
TDP1 Q9NUW8 3/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
USP2 O75604 1/20 0.58
MCOLN3 Q8TDD5 1/20 0.58
PKM P14618 1/20 0.58
SAE1 Q9UBE0 1/20 0.58

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
SCHEMBL684819 0.92 SIRT1 (0.81) SIRT1MEN1KMT2AKDM4ERAB9A
SCHEMBL684624 0.89 SIRT1 (0.77) SIRT1MEN1KMT2AKDM4ERAB9A
SCHEMBL684979 0.89 SIRT1 (0.77) SIRT1MEN1KMT2AKDM4ERAB9A
SCHEMBL684936 0.89 SIRT1 (0.67) SIRT1MEN1KMT2AKDM4ERAB9A
SCHEMBL683991 0.88 NPC1 (0.65) SIRT1MEN1KMT2AKDM4ERAB9A
SCHEMBL684848 0.87 NPC1 (0.75) SIRT1MEN1KMT2AKDM4ERAB9A
SCHEMBL14907006 0.86 SIRT1 (0.65) SIRT1MEN1KMT2AKDM4ERAB9A
SCHEMBL684885 0.85 SIRT1 (0.60) SIRT1MEN1KMT2AKDM4ERAB9A
SCHEMBL684777 0.85 SIRT1 (0.63) SIRT1MEN1KMT2AKDM4ERAB9A
SCHEMBL684847 0.84 KDM1A (0.66) SIRT1MEN1KMT2AKDM4ERAB9A

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 2 patents. 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
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 SIRT1 2400/4885MEN1 536/4885KMT2A 1362/4885

“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.