SCHEMBL5148683

SCHEMBL5148683

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
PTGS2 P35354 2/20 0.47
ALOX5 P09917 1/20 0.47
MALT1 Q9UDY8 1/20 0.46
RPA1 P27694 2/20 0.46
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
CHRNA7 P36544 1/20 0.46
MARS1 P56192 1/20 0.43
PTGS1 P23219 1/20 0.43
BCL2 P10415 1/20 0.43
MDM2 Q00987 1/20 0.43
MCL1 Q07820 1/20 0.43
CCKAR P32238 4/20 0.43
NR3C2 P08235 1/20 0.42
SLC5A1 P13866 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
Hydrochloric Acid SCHEMBL5148851 0.91 CHRNA7 (0.46) CA1CA2CA9PTGS2ALOX5
SCHEMBL5148660 0.89 NR3C2 (0.45) CA1CA2CA9PTGS2ALOX5
SCHEMBL5148811 0.88 CHRNA7 (0.45) CA1CA2CA9PTGS2ALOX5
SCHEMBL5148779 0.87 MALT1 (0.49) CA1CA2CA9PTGS2ALOX5
SCHEMBL5147888 0.86 MDM2 (0.57) PTGS2ALOX5MALT1RPA1FABP3
SCHEMBL5434635 0.80 PTGS2 (0.48) CA1CA2CA9PTGS2ALOX5
SCHEMBL14505148 0.80 PTGS2 (0.52) CA1CA2CA9PTGS2ALOX5
SCHEMBL5152281 0.80 PTGS2 (0.49) CA1CA2CA9PTGS2ALOX5
SCHEMBL5411802 0.79 PTGS2 (0.49) CA1CA2CA9PTGS2ALOX5
SCHEMBL14504732 0.78 RPA1 (0.74) MALT1RPA1CHRNA7MARS1BCL2

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-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 CA1 4388/4885CA2 3227/4885CA9 4006/4885

“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.