SCHEMBL684644

SCHEMBL684644

Cc1ccc(C(=O)N/N=C/c2cc(Cl)cc(C(F)(F)F)c2O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 4/20 0.59
MAPT P10636 2/20 0.55
KMT2A Q03164 4/20 0.54
KDM4E B2RXH2 3/20 0.54
MEN1 O00255 3/20 0.54
NPC1 O15118 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
USP2 O75604 1/20 0.54
MCOLN3 Q8TDD5 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PIK3CG P48736 2/20 0.54
RAB9A P51151 3/20 0.53
PKM P14618 1/20 0.53
ATM Q13315 1/20 0.53
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
KDM1A O60341 1/20 0.51
GAA P10253 1/20 0.49
ALOX5 P09917 2/20 0.49
PTGS2 P35354 2/20 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
SCHEMBL684761 0.92 SIRT1 (0.61) SIRT1MAPTKMT2AKDM4EMEN1
SCHEMBL683971 0.91 NPC1 (0.56) SIRT1MAPTKMT2AKDM4EMEN1
SCHEMBL684720 0.90 SIRT1 (0.62) SIRT1MAPTKMT2AKDM4EMEN1
SCHEMBL683945 0.89 RAB9A (0.58) SIRT1MAPTKMT2AKDM4EMEN1
SCHEMBL685006 0.88 ALOX5 (0.60) SIRT1MAPTKMT2AKDM4EMEN1
SCHEMBL683970 0.88 PIK3CG (0.51) MAPTKMT2AKDM4EMEN1NPC1
SCHEMBL9921093 0.87 SIRT1 (0.63) SIRT1MAPTKMT2AKDM4EMEN1
SCHEMBL683972 0.86 PIK3CG (0.74) SIRT1MAPTKMT2AKDM4EMEN1
SCHEMBL684647 0.85 PHGDH (0.61) SIRT1MAPTKMT2AKDM4EMEN1
SCHEMBL684490 0.84 KMT2A (0.73) SIRT1MAPTKMT2AKDM4EMEN1

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-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 US disclosed
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-06-14 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 2400/4885MAPT 1491/4885KMT2A 1362/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 SIRT1 1977/4885MAPT 921/4885KMT2A 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.