SCHEMBL4309241

SCHEMBL4309241

CN(Cc1cc(N(C)CCO)ccn1)Cc1cc(O)cc(-c2cc(N(C)CCO)ccn2)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.32
NOX1 Q9Y5S8 1/20 0.31
CXCR4 P61073 1/20 0.30
NTSR1 P30989 1/20 0.30

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
SCHEMBL4315323 0.97 MAP4K4 (0.31) MAP4K4MAPTHSD17B10
SCHEMBL4304703 0.91 CYP2D6 (0.38) MAP4K4MAPTHSD17B10
SCHEMBL4303630 0.87 ALDH1A1 (0.35)
SCHEMBL13985851 0.85 MAP4K4 (0.39) MAP4K4MAPTHSD17B10NOX1NTSR1
Hydrochloric Acid SCHEMBL2539026 0.84 MAP4K4 (0.38) MAP4K4MAPTHSD17B10NOX1NTSR1
SCHEMBL4305889 0.81 AGXT (0.34) MAPT
SCHEMBL4316270 0.80 KDM4E (0.32) CXCR4
SCHEMBL4308839 0.80 EIF4E (0.34) MAPT
SCHEMBL2536197 0.79 MAP4K4 (0.41) MAP4K4MAPTHSD17B10NOX1NTSR1
SCHEMBL4300952 0.78 SIRT2 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 WO 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-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts MT-CO2, MT-CO1, SOD1 MAP4K4 3209/4885MAPT 1558/4885HSD17B10 912/4885

“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.