SCHEMBL685173

SCHEMBL685173

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.74
RAB9A P51151 7/20 0.74
MAPT P10636 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
CYP1A2 P05177 2/20 0.74
CYP3A4 P08684 2/20 0.74
CYP2C19 P33261 2/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
HPGD P15428 1/20 0.70
HTT P42858 1/20 0.70
KMT2A Q03164 6/20 0.65
MEN1 O00255 5/20 0.65
KDM4E B2RXH2 4/20 0.65
TDP1 Q9NUW8 3/20 0.65
USP2 O75604 1/20 0.65
MCOLN3 Q8TDD5 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
PIK3CG P48736 1/20 0.56
KDM1A O60341 2/20 0.55

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
SCHEMBL685159 0.89 NPC1 (0.70) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL14026534 0.88 MAPT (0.67) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL684716 0.88 NPC1 (0.67) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL683991 0.88 NPC1 (0.65) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL683996 0.88 RAB9A (0.81) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL684848 0.88 NPC1 (0.75) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL9921039 0.86 MAPT (0.65) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL684760 0.86 MAPT (0.62) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL6570260 0.86 NPC1 (0.77) NPC1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL685119 0.86 NPC1 (0.77) NPC1RAB9AMAPTSMN1; SMN2CYP1A2

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-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 (1 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

“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.