SCHEMBL5434635

SCHEMBL5434635

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.48
ALOX5 P09917 1/20 0.48
RPA1 P27694 2/20 0.47
FABP3 P05413 1/20 0.46
FABP4 P15090 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MALT1 Q9UDY8 1/20 0.44
MARS1 P56192 1/20 0.44
CHRNA7 P36544 1/20 0.44
PTGS1 P23219 1/20 0.44
CCKAR P32238 5/20 0.43
BCL2 P10415 1/20 0.42
MDM2 Q00987 1/20 0.42
MCL1 Q07820 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 SCHEMBL5147707 0.91 PTGS2 (0.46) PTGS2ALOX5RPA1FABP3FABP4
SCHEMBL5150528 0.88 PTGS2 (0.43) PTGS2ALOX5RPA1FABP3FABP4
SCHEMBL5421023 0.87 RPA1 (0.50) PTGS2ALOX5RPA1CA1CA2
SCHEMBL5411802 0.87 PTGS2 (0.49) PTGS2ALOX5RPA1FABP3FABP4
SCHEMBL5152144 0.87 PTGS2 (0.44) PTGS2ALOX5RPA1FABP3FABP4
SCHEMBL5148846 0.86 MDM2 (0.58) PTGS2ALOX5RPA1FABP3FABP4
SCHEMBL5152281 0.80 PTGS2 (0.49) PTGS2ALOX5RPA1FABP3FABP4
SCHEMBL5148683 0.80 CA1 (0.48) PTGS2ALOX5RPA1FABP3FABP4
SCHEMBL14504732 0.79 RPA1 (0.74) RPA1MALT1MARS1CHRNA7BCL2
SCHEMBL14504647 0.79 RPA1 (0.55) PTGS2ALOX5RPA1FABP3FABP4

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 1 patent. 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

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 PTGS2 1780/4885ALOX5 950/4885RPA1 2143/4885

“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.