SCHEMBL685038

SCHEMBL685038

O=C(N/N=C/c1cccc(C(F)(F)F)c1O)c1ccccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
PKM P14618 1/20 0.60
ATM Q13315 1/20 0.60
KMT2A Q03164 7/20 0.55
MEN1 O00255 6/20 0.55
KDM4E B2RXH2 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NTRK1 P04629 1/20 0.53
HTT P42858 5/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 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
SCHEMBL684627 0.92 KMT2A (0.67) MAPTNPC1RAB9APKMATM
SCHEMBL685008 0.90 CD38 (0.58) MAPTNPC1RAB9APKMATM
SCHEMBL684995 0.87 NPC1 (0.70) MAPTNPC1RAB9APKMATM
SCHEMBL685628 0.85 ALOX5 (0.60) MAPTNPC1RAB9APKMATM
SCHEMBL684734 0.84 ALOX5 (0.54) MAPTNPC1RAB9APKMATM
SCHEMBL685291 0.84 KMT2A (0.51) MAPTNPC1RAB9APKMATM
SCHEMBL684748 0.84 NTRK1 (0.51) MAPTNPC1RAB9APKMATM
SCHEMBL9917259 0.83 KMT2A (0.56) MAPTNPC1RAB9APKMATM
SCHEMBL684737 0.83 RAB9A (0.69) MAPTNPC1RAB9APKMATM
SCHEMBL684633 0.82 PIK3CG (0.67) MAPTNPC1RAB9APKMATM

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

“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.