SCHEMBL686344

SCHEMBL686344

C/C(=N\NC(=O)c1cccc(C)c1)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 6/20 0.56
MAPT P10636 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
GAA P10253 1/20 0.55
PKM P14618 1/20 0.55
MCL1 Q07820 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
MTOR P42345 3/20 0.50
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 2/20 0.46
CYP1A2 P05177 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
SCHEMBL9921091 0.89 KDM1A (0.69) KDM1AMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL686443 0.88 KDM1A (0.54) KDM1AMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL686278 0.88 KDM1A (0.67) KDM1AMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL684595 0.87 MAPT (0.62) KDM1AMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL686342 0.87 KDM1A (0.57) KDM1AMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL684709 0.86 MTOR (0.57) KDM1AMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL9921126 0.82 KDM1A (0.66) KDM1ASMN1; SMN2RAB9AMEN1KMT2A
SCHEMBL684686 0.82 CYP1A2 (0.60) KDM1AMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL686267 0.82 MTOR (0.56) KDM1AMAPTSMN1; SMN2RAB9AMEN1
SCHEMBL684832 0.82 KDM1A (0.77) KDM1AMAPTSMN1; SMN2RAB9AMEN1

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 484/4885MAPT 1491/4885SMN1; SMN2 4107/4885
US-20120148682-A1 FUNGICIDAL COMPOSITIONS INCLUDING HYDRAZONE DERIVATIVES AND COPPER SOD1, CYP51A1, CYP4Z1 KDM1A 291/4885MAPT 921/4885SMN1; SMN2 3775/4885

“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.