SCHEMBL686583

SCHEMBL686583

C/C(=N\NC(=O)c1ccccc1C)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.52
GAA P10253 3/20 0.49
RAB9A P51151 6/20 0.48
ATM Q13315 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.46
MTOR P42345 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 4/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CTDSP1 Q9GZU7 1/20 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
SCHEMBL686617 0.91 KDM1A (0.56) KDM1AGAARAB9AMEN1KMT2A
SCHEMBL9920837 0.87 KDM1A (0.57) KDM1AGAARAB9AMEN1KMT2A
SCHEMBL686327 0.87 NPC1 (0.56) KDM1AGAARAB9AMEN1KMT2A
SCHEMBL9921091 0.86 KDM1A (0.69) KDM1AGAARAB9AMEN1KMT2A
SCHEMBL683925 0.84 KDM1A (0.54) KDM1AGAARAB9AATMMEN1
SCHEMBL686342 0.84 KDM1A (0.57) KDM1AGAARAB9AMEN1KMT2A
SCHEMBL686443 0.83 KDM1A (0.54) KDM1AGAARAB9AMEN1KMT2A
SCHEMBL683729 0.82 KDM1A (0.67) KDM1AGAARAB9AATMMEN1
SCHEMBL683891 0.81 MEN1 (0.62) GAARAB9AMEN1KMT2ANPC1
SCHEMBL684051 0.81 KDM1A (0.73) KDM1AGAARAB9AATMMEN1

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 484/4885GAA 670/4885RAB9A 3846/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885GAA 386/4885RAB9A 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.