SCHEMBL5147693

SCHEMBL5147693

COc1ccc(-n2nc(OC)cc2-c2ccc(OCCNC(N)=O)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 2/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CG P48736 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
PTGS2 P35354 3/20 0.38
CHRNA7 P36544 1/20 0.38
P2RX7 Q99572 1/20 0.38
BCL2 P10415 2/20 0.38
MDM2 Q00987 2/20 0.38
MCL1 Q07820 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
RPA1 P27694 2/20 0.38
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL5148807 0.94 BCL2 (0.42) MALT1FABP3FABP4PIK3CAPIK3CG
SCHEMBL5152083 0.93 MDM2 (0.39) MALT1FABP3FABP4PIK3CAPIK3CG
SCHEMBL5148825 0.92 MALT1 (0.43) MALT1FABP3FABP4PIK3CAPIK3CG
SCHEMBL5152341 0.91 PTGS2 (0.41) MALT1FABP3FABP4PIK3CAPIK3CG
SCHEMBL5148888 0.91 PIK3CA (0.36) MALT1FABP3FABP4PIK3CAPIK3CG
SCHEMBL5148944 0.91 FABP4 (0.43) MALT1FABP3FABP4PIK3CAPIK3CG
SCHEMBL5152203 0.91 MALT1 (0.47) MALT1FABP3FABP4MTNR1AMTNR1B
SCHEMBL5152133 0.91 PTGS2 (0.39) MALT1FABP3FABP4PIK3CAPIK3CG
SCHEMBL14504712 0.90 PTGS2 (0.39) MALT1FABP3FABP4PTGS2
SCHEMBL5418007 0.89 PTGS2 (0.48) MALT1FABP3FABP4PIK3CAPIK3CG

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 4 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
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 1227/4885FABP3 3873/4885FABP4 3914/4885

“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.