SCHEMBL4309083

SCHEMBL4309083

CN(CCc1ccccn1)Cc1cc(O)cc(-c2cc(Cl)ccn2)n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
KDM4E B2RXH2 9/20 0.53
TSHR P16473 3/20 0.53
ATM Q13315 1/20 0.50
RECQL P46063 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 1/20 0.42
CRHR1 P34998 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE7B Q9NP56 1/20 0.38

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
SCHEMBL4309065 0.91 KCNH2 (0.47) TDP1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4309284 0.84 EIF4E (0.36) TDP1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4310954 0.83 CYP2D6 (0.42) TDP1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4308839 0.79 EIF4E (0.34) TDP1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4313093 0.79 MAPT (0.41) TDP1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4304703 0.76 CYP2D6 (0.38) TDP1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4304709 0.74 KDM4E (0.50) TDP1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4310410 0.74 RORC (0.38) KDM4EALDH1A1KCNH2
SCHEMBL7035522 0.73 KDM4E (0.71) TDP1CYP2D6CYP2C9CYP2C19CYP1A2
SCHEMBL4315314 0.73 CXCR4 (0.43) KDM4EALDH1A1RAB9A

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 3 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

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 TDP1 3925/4885CYP2D6 118/4885CYP2C9 100/4885

“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.