SCHEMBL4304668

SCHEMBL4304668

COc1c(C)cnc(CN(C)Cc2cc(O)nc(-c3ccccn3)n2)c1C

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 17/20 0.42
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SHMT2 P34897 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5066799 0.82 SHMT2 (0.35) FFAR1KDM4EMAPTHTTSMN1; SMN2
SCHEMBL14457466 0.75 AGXT (0.36) KDM4EMAPTHTTSMN1; SMN2SHMT2
SCHEMBL4309675 0.74 AGXT (0.37) SHMT2
SCHEMBL4304709 0.73 KDM4E (0.50) FFAR1KDM4EMEN1KMT2A
SCHEMBL4305889 0.71 AGXT (0.34) MAPTSHMT2
SCHEMBL4305125 0.71 PDE10A (0.44) SHMT2
SCHEMBL15212315 0.71 AGXT (0.48) KDM4EMAPTSMN1; SMN2L3MBTL1SHMT2
SCHEMBL15220956 0.71 AGXT (0.48) KDM4EMAPTSMN1; SMN2L3MBTL1SHMT2
SCHEMBL4311415 0.70 PDE10A (0.37)
SCHEMBL14457590 0.70 AGXT (0.34) SHMT2

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-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
EP-1981635-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS Ciba Holding Inc. (CH) 2008-10-22 EP disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 WO 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 FFAR1 4606/4885KDM4E 3219/4885MAPT 1558/4885

“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.