SCHEMBL684716

SCHEMBL684716

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.67
RAB9A P51151 8/20 0.67
MAPT P10636 5/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
HTT P42858 2/20 0.67
HPGD P15428 1/20 0.67
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2C19 P33261 2/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 1/20 0.55
POLB P06746 2/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TDP1 Q9NUW8 2/20 0.51
USP2 O75604 1/20 0.51
MCOLN3 Q8TDD5 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
SCHEMBL684599 0.90 PIK3CG (0.57) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL14026534 0.89 MAPT (0.67) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL685265 0.88 KDM1A (0.65) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL685173 0.88 NPC1 (0.74) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL685011 0.88 RAB9A (0.61) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL684977 0.87 KDM4E (0.59) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL683996 0.86 RAB9A (0.81) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL684722 0.84 MAPT (0.56) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL9921039 0.84 MAPT (0.65) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL684938 0.83 DUSP3 (0.65) NPC1RAB9AMAPTSMN1; 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 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.