SCHEMBL684722

SCHEMBL684722

Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(O)c(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.56
NPC1 O15118 7/20 0.56
RAB9A P51151 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 2/20 0.56
KMT2A Q03164 7/20 0.55
MEN1 O00255 5/20 0.55
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
POLB P06746 3/20 0.51
LMNA P02545 2/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
PTBP1 P26599 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL684614 0.91 LMNA (0.53) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL685251 0.89 ALOX5 (0.63) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL685015 0.89 RAB9A (0.55) MAPTNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL684725 0.88 KDM1A (0.58) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL685684 0.88 KMT2A (0.57) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL684760 0.87 MAPT (0.62) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL683950 0.86 RAB9A (0.63) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL684720 0.85 SIRT1 (0.62) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL685018 0.85 DUSP3 (0.61) MAPTSMN1; SMN2HTTKMT2AMEN1
SCHEMBL684716 0.84 NPC1 (0.67) MAPTNPC1RAB9ASMN1; SMN2HTT

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 2 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-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.