SCHEMBL4304703

SCHEMBL4304703

CN(Cc1ccccn1)Cc1cc(O)cc(-c2cc(N(C)CCO)ccn2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.38
CYP2C9 P11712 4/20 0.38
CYP2C19 P33261 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
HIF1A Q16665 1/20 0.38
TSHR P16473 3/20 0.36
ESR1 P03372 2/20 0.36
ESR2 Q92731 1/20 0.36
KCNH2 Q12809 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LIN28A Q9H9Z2 1/20 0.35
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.33
RECQL P46063 1/20 0.33
MAP4K4 O95819 1/20 0.33
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL4309241 0.91 MAP4K4 (0.33) MAPTHSD17B10MAP4K4
SCHEMBL4315323 0.88 MAP4K4 (0.31) MAPTHSD17B10ALDH1A1MAP4K4KDM4E
SCHEMBL4313093 0.83 MAPT (0.41) CYP2D6CYP2C9CYP2C19CYP1A2HIF1A
SCHEMBL13985851 0.82 MAP4K4 (0.39) MAPTHSD17B10ALDH1A1KMT2AMAP4K4
SCHEMBL4309065 0.81 KCNH2 (0.47) CYP2D6CYP2C9CYP2C19CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL2539026 0.81 MAP4K4 (0.38) MAPTHSD17B10KMT2AMAP4K4APP
SCHEMBL4305889 0.80 AGXT (0.34) MAPT
SCHEMBL4303630 0.79 ALDH1A1 (0.35) TSHRALDH1A1KDM4E
SCHEMBL4310410 0.77 RORC (0.38) ESR1ESR2KCNH2MAPTALDH1A1
SCHEMBL4315314 0.76 CXCR4 (0.43) SMN1; SMN2ALDH1A1KDM4E

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 CYP2D6 118/4885CYP2C9 100/4885CYP2C19 296/4885

“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.