SCHEMBL685035

SCHEMBL685035

Cc1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.66
NPC1 O15118 5/20 0.66
MAPT P10636 3/20 0.66
PKM P14618 1/20 0.66
ATM Q13315 1/20 0.66
KDM4E B2RXH2 3/20 0.58
LMNA P02545 3/20 0.58
HTT P42858 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
SIRT1 Q96EB6 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.50
PTBP1 P26599 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALOX5 P09917 1/20 0.49
PTGS2 P35354 1/20 0.49
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 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
SCHEMBL684737 0.90 RAB9A (0.69) RAB9ANPC1MAPTPKMATM
SCHEMBL684995 0.89 NPC1 (0.70) RAB9ANPC1MAPTPKMATM
SCHEMBL685269 0.88 RAB9A (0.57) RAB9ANPC1MAPTPKMATM
SCHEMBL684741 0.88 RAB9A (0.68) RAB9ANPC1MAPTPKMATM
SCHEMBL684720 0.85 SIRT1 (0.62) RAB9ANPC1MAPTPKMATM
SCHEMBL684633 0.84 PIK3CG (0.67) RAB9ANPC1MAPTPKMATM
SCHEMBL684618 0.84 PHGDH (0.62) RAB9ANPC1MAPTPKMATM
SCHEMBL9921093 0.83 SIRT1 (0.63) RAB9ANPC1MAPTPKMATM
SCHEMBL684644 0.82 SIRT1 (0.59) RAB9ANPC1MAPTPKMATM
SCHEMBL683950 0.82 RAB9A (0.63) RAB9ANPC1MAPTPKMATM

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 3 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

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 RAB9A 3846/4885NPC1 1690/4885MAPT 1491/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 RAB9A 3616/4885NPC1 1052/4885MAPT 921/4885

“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.