SCHEMBL1104925

SCHEMBL1104925

COCOc1ccc2nc3ccc(=O)cc-3oc2c1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 14/20 0.80
CYP1A2 P05177 2/20 0.77
F2RL3 Q96RI0 1/20 0.45
TLR7 Q9NYK1 2/20 0.36
EGFR P00533 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL10167880 0.89 APP (1.00) APPCYP1A2TLR7
SCHEMBL1104922 0.88 APP (0.82) APPCYP1A2F2RL3TLR7CA12
SCHEMBL10145561 0.88 APP (0.63) APPCYP1A2F2RL3
Ethoxyresorufin SCHEMBL31079400 0.87 APP (1.00) APPCYP1A2F2RL3CA12CA1
Ethoxyresorufin SCHEMBL104497 0.87 APP (1.00) APPCYP1A2F2RL3CA12CA1
SCHEMBL22901183 0.87 APP (0.83) APPCYP1A2F2RL3
SCHEMBL10167881 0.86 APP (1.00) APPCYP1A2TLR7
SCHEMBL563392 0.85 APP (1.00) APPCYP1A2EGFRCA12CA1
SCHEMBL31115697 0.85 APP (1.00) APPCYP1A2EGFRCA12CA1
SCHEMBL10167882 0.85 APP (1.00) APPCYP1A2TLR7EGFR

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 9 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-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-20100105095-A1 Optical Molecular Sensors for Cytochrome P450 Activity Life Technologies Corporation (US) 2010-04-29 US disclosed
US-7427680-B2 Fluorogenic substrates for BETA-lactamase gene expression THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-09-23 US disclosed
US-7396926-B2 Beta-lactamase substrates having phenolic ethers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-07-08 US disclosed
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 US disclosed
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity INVITROGEN CORPORATION (US) 2008-05-29 US disclosed
US-20070020715-A1 Novel fluorogenic substrates for beta-lactamase gene expression THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2007-01-25 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 (3 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 3233/4885CYP1A2 2/4885F2RL3 1458/4885
US-20070020715-A1 Novel fluorogenic substrates for beta-lactamase gene expression CMBL, HRH3, TDO2 APP 3187/4885CYP1A2 1881/4885F2RL3 3351/4885
US-20080125586-A1 Optical molecular sensors for cytochrome P450 activity CYP2J2, CYP1A2, CYP2B6 APP 3233/4885CYP1A2 2/4885F2RL3 1458/4885

“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.