SCHEMBL684832

SCHEMBL684832

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

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 9/20 0.77
MAPT P10636 5/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HTT P42858 3/20 0.60
KDM4E B2RXH2 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
BRD4 O60885 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
BRD2 P25440 1/20 0.60
CYP2C19 P33261 1/20 0.60
RAB9A P51151 3/20 0.58
ALDH1A1 P00352 2/20 0.58
GAA P10253 2/20 0.58
MCL1 Q07820 2/20 0.58
PKM P14618 1/20 0.58

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
SCHEMBL684839 0.91 KDM1A (0.83) KDM1AMAPTSMN1; SMN2HTTKDM4E
SCHEMBL684663 0.90 KDM1A (0.62) KDM1AMAPTSMN1; SMN2HTTKDM4E
SCHEMBL684061 0.90 KDM1A (0.70) KDM1AMAPTSMN1; SMN2HTTKDM4E
SCHEMBL684595 0.90 MAPT (0.62) KDM1AMAPTSMN1; SMN2HTTKDM4E
SCHEMBL685059 0.87 KDM1A (1.00) KDM1AMAPTSMN1; SMN2HTTKDM4E
SCHEMBL15772966 0.87 KDM1A (1.00) KDM1AMAPTSMN1; SMN2HTTKDM4E
SCHEMBL684836 0.86 KDM1A (0.79) KDM1AMAPTSMN1; SMN2HTTKDM4E
SCHEMBL684686 0.85 CYP1A2 (0.60) KDM1AMAPTSMN1; SMN2HTTKDM4E
SCHEMBL20979635 0.85 KDM1A (0.72) KDM1AMAPTSMN1; SMN2HTTKDM4E
SCHEMBL683725 0.85 KDM1A (0.67) KDM1AMAPTSMN1; SMN2HTTKDM4E

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-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 (1 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

“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.