SCHEMBL5148779

SCHEMBL5148779

COc1ccc(-n2nc(NC(=O)N(C)C)cc2-c2ccc(O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.49
RPA1 P27694 2/20 0.49
PTGS2 P35354 6/20 0.48
ALOX5 P09917 1/20 0.48
PTGS1 P23219 4/20 0.46
CHRNA7 P36544 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MGLL Q99685 1/20 0.46
MARS1 P56192 1/20 0.44
AOC3 Q16853 1/20 0.43

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
SCHEMBL5148683 0.87 CA1 (0.48) MALT1RPA1PTGS2ALOX5PTGS1
SCHEMBL5147888 0.86 MDM2 (0.57) MALT1RPA1PTGS2ALOX5PTGS1
Hydrochloric Acid SCHEMBL5148851 0.85 CHRNA7 (0.46) MALT1RPA1PTGS2ALOX5PTGS1
SCHEMBL5148660 0.82 NR3C2 (0.45) MALT1RPA1PTGS2ALOX5PTGS1
SCHEMBL5148811 0.82 CHRNA7 (0.45) MALT1RPA1PTGS2ALOX5PTGS1
SCHEMBL5421023 0.79 RPA1 (0.50) MALT1RPA1PTGS2ALOX5PTGS1
SCHEMBL5148895 0.78 PTGS2 (0.57) MALT1RPA1PTGS2PTGS1CHRNA7
SCHEMBL5152310 0.77 PTGS2 (0.53) MALT1RPA1PTGS2ALOX5PTGS1
SCHEMBL5150700 0.76 PTGS2 (0.51) MALT1RPA1PTGS2ALOX5PTGS1
SCHEMBL9998982 0.76 ALDH1A1 (0.40) MALT1PTGS2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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 (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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 MALT1 1227/4885RPA1 2143/4885PTGS2 1780/4885

“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.