SCHEMBL684760

SCHEMBL684760

O=C(N/N=C/c1cc(Cl)cc(C(F)(F)F)c1O)c1cccc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.62
NPC1 O15118 7/20 0.62
RAB9A P51151 7/20 0.62
SMN1; SMN2 Q16637 6/20 0.62
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
HTT P42858 2/20 0.61
HPGD P15428 2/20 0.61
KMT2A Q03164 6/20 0.55
MEN1 O00255 4/20 0.55
KDM4E B2RXH2 5/20 0.51
TDP1 Q9NUW8 3/20 0.51
POLB P06746 2/20 0.51
LMNA P02545 2/20 0.51
KDM1A O60341 1/20 0.51
PTBP1 P26599 1/20 0.51
L3MBTL1 Q9Y468 2/20 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
SCHEMBL685043 0.91 KDM1A (0.62) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL685006 0.89 ALOX5 (0.60) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL683971 0.89 NPC1 (0.56) MAPTNPC1RAB9ASMN1; SMN2HTT
SCHEMBL683970 0.88 PIK3CG (0.51) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL685684 0.88 KMT2A (0.57) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL684722 0.87 MAPT (0.56) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL685173 0.86 NPC1 (0.74) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL683950 0.86 RAB9A (0.63) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL684761 0.85 SIRT1 (0.61) MAPTNPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL685289 0.85 DUSP3 (0.61) MAPTNPC1SMN1; SMN2HTTKMT2A

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.