SCHEMBL685058

SCHEMBL685058

C/C(=N\NC(=O)c1ccccc1Br)c1cccc(Cl)c1O

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
AGTR1 P30556 1/20 0.50
OPRK1 P41145 1/20 0.50
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL685054 0.89 MAPT (0.61) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL684699 0.86 KDM1A (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL684768 0.86 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL684694 0.85 KMT2A (0.56) RAB9ASMN1; SMN2ALDH1A1CYP3A4MAPT
SCHEMBL683714 0.84 CYP3A4 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL423694 0.84 CYP3A4 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL685348 0.83 RAB9A (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL684678 0.82 RAB9A (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL684489 0.82 NPC1 (0.67) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL685075 0.80 MEN1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1CYP3A4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-8476194-B2 Fungicidal compositions including hydrazone derivatives and copper DOW AGROSCIENCES, LLC (US) 2013-07-02 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 US disclosed
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER DOW AGROSCIENCES LLC (US) 2012-01-26 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 NPC1 1690/4885RAB9A 3846/4885SMN1; SMN2 4107/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 NPC1 1052/4885RAB9A 3616/4885SMN1; SMN2 3775/4885

“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.