SCHEMBL685100

SCHEMBL685100

C/C(=N\NC(=O)c1ccccc1C)c1cc(F)cc(F)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 6/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.45
AGTR1 P30556 1/20 0.45
KMT2A Q03164 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM1A O60341 1/20 0.43
MTOR P42345 1/20 0.43
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL684749 0.89 KDM1A (0.53) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL684733 0.86 MAPT (0.53) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL684915 0.86 NPC1 (0.55) RAB9ANPC1SMN1; SMN2ATMMAPT
SCHEMBL684732 0.85 NPC1 (0.67) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL685106 0.81 MAPT (0.54) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL684088 0.81 MTOR (0.55) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL683729 0.78 KDM1A (0.67) RAB9ANPC1SMN1; SMN2ATMMAPT
SCHEMBL685375 0.78 RAB9A (0.54) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL685078 0.78 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ATMMAPT
SCHEMBL684742 0.78 KDM1A (0.54) RAB9ANPC1SMN1; SMN2MAPTLMNA

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 RAB9A 3846/4885NPC1 1690/4885SMN1; SMN2 4107/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 RAB9A 3616/4885NPC1 1052/4885SMN1; 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.