SCHEMBL684995

SCHEMBL684995

O=C(N/N=C/c1cccc(C(F)(F)F)c1O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.70
RAB9A P51151 7/20 0.70
MAPT P10636 3/20 0.70
PKM P14618 1/20 0.70
ATM Q13315 1/20 0.70
HTT P42858 4/20 0.59
KDM4E B2RXH2 3/20 0.59
LMNA P02545 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
POLB P06746 1/20 0.59
PTBP1 P26599 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
ALOX5 P09917 1/20 0.58
PTGS2 P35354 1/20 0.58
SIRT1 Q96EB6 1/20 0.55
MEN1 O00255 2/20 0.55
KDM1A O60341 3/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52

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 0.91 RAB9A (0.69) NPC1RAB9AMAPTPKMATM
SCHEMBL684741 0.89 RAB9A (0.68) NPC1RAB9AMAPTPKMATM
SCHEMBL685035 0.89 RAB9A (0.66) NPC1RAB9AMAPTPKMATM
SCHEMBL683950 0.88 RAB9A (0.63) NPC1RAB9AMAPTPKMATM
SCHEMBL685038 0.87 MAPT (0.60) NPC1RAB9AMAPTPKMATM
SCHEMBL685037 0.87 KDM1A (0.67) NPC1RAB9AMAPTPKMATM
SCHEMBL685269 0.87 RAB9A (0.57) NPC1RAB9AMAPTPKMATM
SCHEMBL684627 0.85 KMT2A (0.67) NPC1RAB9AMAPTPKMATM
SCHEMBL684618 0.85 PHGDH (0.62) NPC1RAB9AMAPTPKMATM
SCHEMBL9921031 0.84 ALOX5 (0.71) NPC1RAB9AMAPTPKMATM

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