SCHEMBL1104934

SCHEMBL1104934

COc1ccc2nc3c(C(C)=O)cc(=O)cc-3oc2c1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 13/20 0.62
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.46
EGFR P00533 1/20 0.43
SLC16A3 O15427 1/20 0.42
HSD11B1 P28845 1/20 0.42
CYP3A4 P08684 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL563392 0.77 APP (1.00) APPALDH1A1HPGDMAOBKDM4E
SCHEMBL31115697 0.77 APP (1.00) APPALDH1A1HPGDMAOBKDM4E
SCHEMBL31500937 0.72 APP (0.57) APP
SCHEMBL1104937 0.71 APP (0.55) APPALDH1A1HPGDGAAMAOB
SCHEMBL1104932 0.71 APP (0.58) APPALDH1A1HPGDGAAMAOB
SCHEMBL3974521 0.70 APP (0.72) APPALDH1A1HPGDGAAKDM4E
SCHEMBL47894 0.69 APP (0.42) APPALDH1A1HPGDGAAKDM4E
SCHEMBL28848887 0.69 TLR4 (0.56) APPALDH1A1HPGDGAAMAOB
SCHEMBL29826255 0.69 TLR4 (0.56) APPALDH1A1HPGDGAAMAOB
SCHEMBL18932158 0.68 APP (0.74) APPALDH1A1HPGDGAAKDM4E

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-8153828-B2 Optical molecular sensors for cytochrome P450 activity Life Technologies Corporation (US) 2012-04-10 US disclosed
US-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity Life Technologies Corporation (US) 2010-04-29 US disclosed
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 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 (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-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885ALDH1A1 766/4885HPGD 1218/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885ALDH1A1 766/4885HPGD 1218/4885

“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.