SCHEMBL684725

SCHEMBL684725

Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(O)c(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.58
AGTR1 P30556 1/20 0.53
LMNA P02545 6/20 0.53
RAB9A P51151 8/20 0.51
NPC1 O15118 8/20 0.51
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
KMT2A Q03164 8/20 0.50
MEN1 O00255 6/20 0.50
POLB P06746 3/20 0.50
HTT P42858 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
KDM4E B2RXH2 2/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
PTBP1 P26599 1/20 0.50

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
SCHEMBL685043 0.90 KDM1A (0.62) KDM1AAGTR1LMNARAB9ANPC1
SCHEMBL684614 0.90 LMNA (0.53) LMNARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9921041 0.88 KDM1A (0.60) KDM1AAGTR1LMNARAB9ANPC1
SCHEMBL684722 0.88 MAPT (0.56) LMNARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL683945 0.88 RAB9A (0.58) KDM1ALMNARAB9ANPC1MAPT
SCHEMBL685251 0.88 ALOX5 (0.63) LMNARAB9ANPC1MAPTSMN1; SMN2
SCHEMBL683970 0.87 PIK3CG (0.51) KDM1ALMNARAB9ANPC1MAPT
SCHEMBL685037 0.87 KDM1A (0.67) KDM1AAGTR1LMNARAB9ANPC1
SCHEMBL685265 0.85 KDM1A (0.65) KDM1AAGTR1LMNARAB9ANPC1
SCHEMBL684720 0.84 SIRT1 (0.62) LMNARAB9ANPC1MAPTSMN1; SMN2

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 484/4885AGTR1 2691/4885LMNA 4808/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885AGTR1 2704/4885LMNA 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.