SCHEMBL684598

SCHEMBL684598

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.61
MAPT P10636 5/20 0.60
GAA P10253 3/20 0.60
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.53
RAB9A P51151 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 2/20 0.53
PKM P14618 1/20 0.53
HTT P42858 1/20 0.53
MCL1 Q07820 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KCNMA1 Q12791 1/20 0.50
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CSNK2A1 P68400 1/20 0.47
NPC1 O15118 2/20 0.47

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
SCHEMBL683934 0.92 KDM1A (0.70) KDM1AMAPTGAALMNASMN1; SMN2
SCHEMBL685135 0.92 RAB9A (0.57) KDM1AMAPTGAALMNASMN1; SMN2
SCHEMBL685005 0.92 KDM1A (0.74) KDM1AMAPTGAALMNASMN1; SMN2
SCHEMBL685128 0.90 GAA (0.56) KDM1AMAPTGAALMNASMN1; SMN2
SCHEMBL684709 0.90 MTOR (0.57) KDM1AMAPTGAALMNASMN1; SMN2
SCHEMBL684836 0.89 KDM1A (0.79) KDM1AMAPTGAALMNASMN1; SMN2
SCHEMBL684690 0.89 KDM1A (0.56) KDM1AMAPTGAALMNASMN1; SMN2
SCHEMBL684595 0.87 MAPT (0.62) KDM1AMAPTGAALMNASMN1; SMN2
SCHEMBL684584 0.87 KDM1A (0.54) KDM1AMAPTGAALMNASMN1; SMN2
SCHEMBL686443 0.87 KDM1A (0.54) KDM1AMAPTGAALMNASMN1; 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 3 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
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 484/4885MAPT 1491/4885GAA 670/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885MAPT 921/4885GAA 386/4885

“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.