SCHEMBL5424741

SCHEMBL5424741

COc1ccc(-c2nc(CO)cn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.56
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
P2RX7 Q99572 1/20 0.51
PTGS1 P23219 4/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CCKAR P32238 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL5514584 0.91 PTGS2 (0.54) PTGS2GABRA2GABRB2P2RX7PTGS1
Hydrochloric Acid SCHEMBL5434406 0.78 PTGS2 (0.53) PTGS2GABRA2GABRB2PTGS1MEN1
SCHEMBL13239851 0.78 PTGS2 (0.54) PTGS2GABRA2GABRB2PTGS1RAB9A
SCHEMBL2948230 0.78 PTGS2 (0.54) PTGS2GABRA2GABRB2PTGS1RAB9A
SCHEMBL13239853 0.77 PTGS2 (0.50) PTGS2GABRA2GABRB2PTGS1RAB9A
SCHEMBL13239846 0.77 PTGS2 (0.50) PTGS2GABRA2GABRB2PTGS1RAB9A
SCHEMBL14513797 0.76 PTGS2 (0.52) PTGS2GABRA2GABRB2
SCHEMBL5423567 0.75 GABRA2 (0.67) PTGS2GABRA2GABRB2PTGS1CCKAR
SCHEMBL5427563 0.75 GABRA2 (0.64) PTGS2GABRA2GABRB2PTGS1MEN1
SCHEMBL5420011 0.75 PTGS2 (0.57) PTGS2GABRA2GABRB2PTGS1MEN1

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-20070043084-A1 1,2-Diarylimidazoles useful as inhibitors of cox ASTELLAS PHARMA INC. (JP) 2007-02-22 US disclosed
EP-1620406-A2 1,2-DIARYLIMIDAZOLES USEFUL AS INHIBITORS OF COX Astellas Pharma Inc. (JP) 2006-02-01 EP disclosed
WO-2004099130-A2 1,2-DIARYLIMIDAZOLES USEFUL AS INHIBITORS OF COX ASTELLAS PHARMA INC. (JP) 2004-11-18 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-20070043084-A1 1,2-Diarylimidazoles useful as inhibitors of cox PTGS1, COX15, CYP2E1 PTGS2 4/4885GABRA2 2148/4885GABRB2 1446/4885

“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.