SCHEMBL4305339

SCHEMBL4305339

CCOC(=O)c1cc(Cl)cc(-c2cc(Cl)ccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.45
JMJD6 Q6NYC1 3/20 0.45
GABRA2 P47869 5/20 0.43
GABRB2 P47870 5/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
IDE P14735 1/20 0.42
ALOX15 P16050 1/20 0.42
ANO1 Q5XXA6 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL4301925 0.91 JMJD6 (0.43) L3MBTL1MAPTALDH1A1CYP1A2JMJD6
SCHEMBL743661 0.84 L3MBTL1 (0.58) L3MBTL1MAPTALDH1A1CYP1A2GABRA2
Hydrochloric Acid SCHEMBL4217802 0.83 L3MBTL1 (0.56) L3MBTL1MAPTALDH1A1CYP1A2GABRA2
SCHEMBL3327719 0.81 CYP1A2 (0.61) L3MBTL1MAPTALDH1A1CYP1A2GABRA2
SCHEMBL25275643 0.80 PIK3C3 (0.44) GABRA2GABRB2
SCHEMBL1200252 0.80 GABRA2 (0.55) L3MBTL1MAPTALDH1A1CYP1A2GABRA2
SCHEMBL31127029 0.76 CYP1A2 (0.51) L3MBTL1MAPTALDH1A1CYP1A2GABRA2
SCHEMBL787591 0.76 CYP1A2 (0.51) L3MBTL1MAPTALDH1A1CYP1A2GABRA2
SCHEMBL2823510 0.76 CYP1A2 (0.51) L3MBTL1MAPTALDH1A1CYP1A2GABRA2
Toluene SCHEMBL5966394 0.76 MAPT (0.49) L3MBTL1MAPTALDH1A1CYP1A2GABRA2

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 L3MBTL1 4714/4885MAPT 1558/4885ALDH1A1 984/4885

“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.