SCHEMBL85830

SCHEMBL85830

COC(=O)c1cc(ON=N)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
CYP2C9 P11712 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
MAPT P10636 2/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
POLB P06746 2/20 0.46
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
HSD17B10 Q99714 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
Methyl 2,5-Dimethoxybenzoate SCHEMBL2091289 0.87 MAPT (0.66) KDM4ECYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL85785 0.83 CA12 (0.62) KDM4ECYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL31009365 0.76 CA12 (0.67) KDM4EMAPTHTTNPSR1ABCG2
SCHEMBL7619139 0.76 CA12 (0.67) KDM4EMAPTHTTNPSR1ABCG2
SCHEMBL28102504 0.76 ABCG2 (0.50) KDM4ECYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL2091287 0.76 KDM4E (0.57) KDM4ECYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL29208993 0.75 MAPT (0.47) KDM4ECYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL30009450 0.74 KDM4E (0.80) KDM4ECYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL22345013 0.74 KDM4E (0.80) KDM4ECYP2C9CYP1A2CYP2D6CYP2C19
SCHEMBL1505444 0.74 HSP90AA1 (0.57) KDM4EMAPTHTTNPSR1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140051762-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF POLYMEDIX, INC. 2014-02-20 US disclosed
US-8507723-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2013-08-13 US disclosed
US-20120322878-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2012-12-20 US disclosed
US-8232428-B2 Polycationic compounds and uses thereof PolyMedix,Inc. (US) 2012-07-31 US disclosed
US-8129566-B2 Polycationic compounds and uses thereof POLYMEDIX, INC. (US) 2012-03-06 US disclosed
US-20110124664-A1 Polycationic Compounds And Uses Thereof POLYMEDIX, INC. (US) 2011-05-26 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 (3 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-20120322878-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF KDM4E 3274/4885CYP2C9 4770/4885CYP1A2 4597/4885
US-20110124664-A1 Polycationic Compounds And Uses Thereof VEGFA, VHL, PGF KDM4E 3274/4885CYP2C9 4770/4885CYP1A2 4597/4885
US-20140051762-A1 POLYCATIONIC COMPOUNDS AND USES THEREOF VEGFA, VHL, PGF KDM4E 3274/4885CYP2C9 4770/4885CYP1A2 4597/4885

“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.