SCHEMBL9921091

SCHEMBL9921091

C/C(=N\NC(=O)c1ccccc1)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.69
RAB9A P51151 8/20 0.58
NPC1 O15118 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
GAA P10253 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
PKM P14618 1/20 0.54
HTT P42858 1/20 0.54
MCL1 Q07820 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GSTA1 P08263 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.50
MTOR P42345 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49

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
SCHEMBL686342 0.92 KDM1A (0.57) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL686617 0.90 KDM1A (0.56) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL686344 0.89 KDM1A (0.56) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL686443 0.89 KDM1A (0.54) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL686278 0.88 KDM1A (0.67) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL686267 0.88 MTOR (0.56) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL9921126 0.88 KDM1A (0.66) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL686583 0.86 KDM1A (0.52) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL686327 0.85 NPC1 (0.56) KDM1ARAB9ANPC1SMN1; SMN2MEN1
SCHEMBL10166009 0.85 MAPT (0.56) KDM1ARAB9ANPC1SMN1; SMN2GAA

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 484/4885RAB9A 3846/4885NPC1 1690/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885RAB9A 3616/4885NPC1 1052/4885

“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.