SCHEMBL686342

SCHEMBL686342

C/C(=N\NC(=O)c1ccc(C(F)(F)F)cc1)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.57
MTOR P42345 3/20 0.57
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GAA P10253 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 2/20 0.50
ESRRG P62508 1/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
HTT P42858 1/20 0.50
MCL1 Q07820 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.45

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
SCHEMBL686443 0.94 KDM1A (0.54) KDM1AMTORRAB9ANPC1CRHBP
SCHEMBL9921126 0.92 KDM1A (0.66) KDM1AMTORRAB9ANPC1MEN1
SCHEMBL686267 0.92 MTOR (0.56) KDM1AMTORRAB9ANPC1MEN1
SCHEMBL9921091 0.92 KDM1A (0.69) KDM1AMTORRAB9ANPC1CRHBP
SCHEMBL684709 0.91 MTOR (0.57) KDM1AMTORRAB9ANPC1CRHBP
SCHEMBL10166009 0.90 MAPT (0.56) KDM1AMTORRAB9ANPC1GAA
SCHEMBL684702 0.90 MTOR (0.59) KDM1AMTORRAB9ANPC1MEN1
SCHEMBL684055 0.90 KDM1A (0.73) KDM1AMTORRAB9ANPC1MEN1
SCHEMBL686617 0.87 KDM1A (0.56) KDM1ARAB9ANPC1CRHBPCRHR2
SCHEMBL686344 0.87 KDM1A (0.56) KDM1AMTORRAB9ANPC1MEN1

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 KDM1A 484/4885MTOR 2134/4885RAB9A 3846/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885MTOR 2360/4885RAB9A 3616/4885

“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.