Sugi Predict

Sugi Predict / Compounds / SCHEMBL804636

SCHEMBL804636

SCHEMBL804636

CCCCCCn1c2ccc(-c3cc(-c4nc5ccccc5o4)c(O)c(-c4nc5ccccc5o4)c3)cc2c2cc(-c3cc(-c4nc5ccccc5o4)c(O)c(-c4nc5ccccc5o4)c3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ KDM4E B2RXH2 6/20 0.39
▸ MAPT P10636 3/20 0.39
▸ KDM6B O15054 1/20 0.39
▸ KDM6A O15550 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ USP2 O75604 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ TLR8 Q9NR97 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ HSD17B10 Q99714 3/20 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
SCHEMBL804304 0.77 PTGS2 (0.40) PTGS2KDM4EMAPTKDM6BKDM6A
SCHEMBL13272097 0.77 PTGS2 (0.40) PTGS2KDM4EMAPTKDM6BKDM6A
SCHEMBL20987455 0.76 CNR2 (0.47) CNR2SIRT2SIRT1KDM4EMAPT
SCHEMBL12628255 0.72 CNR2 (0.54) CNR2SIRT2SIRT1KDM4EMAPT
SCHEMBL13656472 0.72 CNR2 (0.61) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL12628258 0.72 CNR2 (0.61) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL3339514 0.71 CNR2 (0.49) CNR2KDM4EMAPTALDH1A1PSEN1
SCHEMBL5906505 0.71 CNR2 (0.51) CNR2PSEN1PSEN2APH1BNCSTN
SCHEMBL27817965 0.71 NPY5R (0.52) KDM4EMAPTSMN1; SMN2ALDH1A1USP2
SCHEMBL5906519 0.70 CNR2 (0.49) CNR2KDM4EMAPTSMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9783554-B2 Lanthanide ion complexes and imaging method THE UNIVERSITY OF AKRON (US) 2017-10-10 — — US disclosed
US-9783554-B2 Lanthanide ion complexes and imaging method THE UNIVERSITY OF AKRON (US) 2017-10-10 — — US disclosed
US-20160333028-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD THE UNIVERSITY OF AKRON 2016-11-17 — — US disclosed
US-20160333028-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD THE UNIVERSITY OF AKRON 2016-11-17 — — US disclosed
US-20120070378-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD THE UNIVERSITY OF AKRON (US) 2012-03-22 — — US disclosed
US-20120070378-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD THE UNIVERSITY OF AKRON (US) 2012-03-22 — — US disclosed
WO-2010075003-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD THE UNIVERSITY OF AKRON (US) 2010-07-01 — — 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 (2 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-20160333028-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD HRH3, KCNH3, RXFP3 CNR2 1525/4885SIRT2 2775/4885SIRT1 4052/4885
US-20120070378-A1 LANTHANIDE ION COMPLEXES AND IMAGING METHOD INSR, KCNH3, CA9 CNR2 2628/4885SIRT2 3422/4885SIRT1 4535/4885

“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.