SCHEMBL684996

SCHEMBL684996

O=C(N/N=C/c1c(O)cccc1C(F)(F)F)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 2/20 0.60
PKM P14618 1/20 0.60
ATM Q13315 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
KMT2A Q03164 3/20 0.56
KDM4E B2RXH2 3/20 0.56
LMNA P02545 2/20 0.56
PTBP1 P26599 2/20 0.56
HTT P42858 2/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
MEN1 O00255 2/20 0.56
HSP90AA1 P07900 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.56
ALOX12 P18054 1/20 0.56
KDM1A O60341 1/20 0.49
MAOA P21397 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
SCHEMBL686319 0.84 LMNA (0.56) MAPTNPC1RAB9APKMATM
SCHEMBL684981 0.83 MAPT (0.52) MAPTNPC1RAB9APKMATM
SCHEMBL684575 0.82 NPC1 (0.58) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL684995 0.82 NPC1 (0.70) MAPTNPC1RAB9APKMATM
SCHEMBL684935 0.81 MAPT (0.53) MAPTNPC1RAB9APKMATM
SCHEMBL685236 0.80 KMT2A (0.55) MAPTNPC1RAB9APKMSMN1; SMN2
SCHEMBL684571 0.80 CYP1A2 (0.61) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL684228 0.78 KMT2A (0.60) MAPTNPC1RAB9APKMATM
SCHEMBL683831 0.77 KDM4E (0.65) MAPTNPC1SMN1; SMN2KMT2AKDM4E
SCHEMBL9921123 0.75 RAB9A (0.58) 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.