SCHEMBL684913

SCHEMBL684913

C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.53
MAPT P10636 3/20 0.50
LMNA P02545 3/20 0.50
POLB P06746 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ESRRG P62508 1/20 0.46
KDM1A O60341 2/20 0.45
GAA P10253 1/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA9 Q16790 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C9 P11712 2/20 0.43
ALDH1A1 P00352 1/20 0.43
AGTR1 P30556 1/20 0.43
SIRT1 Q96EB6 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
SCHEMBL685106 0.88 MAPT (0.54) MTORMAPTLMNAPOLBNPC1
SCHEMBL684742 0.86 KDM1A (0.54) MTORMAPTLMNAPOLBNPC1
SCHEMBL685375 0.86 RAB9A (0.54) MTORMAPTLMNAPOLBNPC1
SCHEMBL684732 0.86 NPC1 (0.67) MTORMAPTLMNAPOLBNPC1
SCHEMBL685373 0.84 MAPT (0.56) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL686342 0.80 KDM1A (0.57) MTORMAPTLMNANPC1RAB9A
SCHEMBL685046 0.80 KDM1A (0.52) MTORLMNANPC1RAB9ASMN1; SMN2
SCHEMBL685141 0.80 MTOR (0.61) MTORMAPTLMNANPC1RAB9A
SCHEMBL684088 0.80 MTOR (0.55) MTORMAPTLMNAPOLBNPC1
SCHEMBL684092 0.79 KDM1A (0.54) MTORMAPTLMNAPOLBNPC1

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 MTOR 2134/4885MAPT 1491/4885LMNA 4808/4885
US-20120021066-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 MTOR 2360/4885MAPT 921/4885LMNA 4567/4885

“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.