SCHEMBL4032186

SCHEMBL4032186

COc1ccc(-c2nc(OC(C)C)nn2-c2ccc(OC)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.76
PTGS1 P23219 5/20 0.76
L3MBTL1 Q9Y468 1/20 0.48
MALT1 Q9UDY8 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.42
NPBWR1 P48145 1/20 0.41

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
SCHEMBL3353893 0.89 PTGS2 (0.61) PTGS2PTGS1L3MBTL1MALT1
SCHEMBL3356139 0.88 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL1193845 0.86 PTGS2 (1.00) PTGS2PTGS1L3MBTL1MALT1TDP1
SCHEMBL6848485 0.81 MALT1 (0.59) PTGS2PTGS1MALT1
SCHEMBL4026247 0.80 PTGS1 (0.76) PTGS2PTGS1L3MBTL1MALT1LMNA
SCHEMBL3358782 0.80 PTGS2 (0.86) PTGS2PTGS1L3MBTL1MALT1LMNA
SCHEMBL10972364 0.80 PTGS2 (0.70) PTGS2PTGS1L3MBTL1MALT1
SCHEMBL4031131 0.79 PTGS2 (0.81) PTGS2PTGS1L3MBTL1MALT1LMNA
SCHEMBL3353892 0.79 PTGS2 (0.47) PTGS2PTGS1MALT1LMNA
SCHEMBL4032188 0.78 PTGS1 (0.72) PTGS2PTGS1L3MBTL1MALT1

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-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US claimed
US-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND ASTELLAS PHARMA, INC. 2013-05-30 US disclosed
EP-2581084-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND Astellas Pharma Inc. (JP) 2013-04-17 EP disclosed
EP-1442026-B9 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS ASTELLAS PHARMA INC (JP) 2009-11-18 EP disclosed
EP-1442026-B1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 PTGS2 2680/4885PTGS1 1504/4885L3MBTL1 836/4885
US-20130137739-A1 SOLID DISPERSION COMPRISING TRIAZOLE COMPOUND CYP3A4, CYP3A43, CYP3A7 PTGS2 3116/4885PTGS1 2201/4885L3MBTL1 2296/4885

“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.