SCHEMBL5148748

SCHEMBL5148748

CCOC(=O)c1cc(-c2ccc(OCCO)cc2)n(-c2ccc(OC)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.58
CHRNA7 P36544 3/20 0.56
RPA1 P27694 2/20 0.56
BCL2 P10415 2/20 0.55
MDM2 Q00987 2/20 0.55
MCL1 Q07820 2/20 0.55
FAAH O00519 3/20 0.54
MALT1 Q9UDY8 1/20 0.53
TP53 P04637 1/20 0.53
MARS1 P56192 1/20 0.52
PTGS2 P35354 3/20 0.51

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
SCHEMBL9054421 0.92 CA9 (0.65) CA9CHRNA7RPA1BCL2MDM2
SCHEMBL14504949 0.89 RPA1 (0.58) CA9CHRNA7RPA1BCL2MDM2
SCHEMBL14504894 0.89 CA9 (0.51) CA9CHRNA7RPA1BCL2MDM2
SCHEMBL5424448 0.89 RPA1 (0.53) CA9CHRNA7RPA1BCL2MDM2
SCHEMBL9350647 0.89 CA9 (0.71) CA9CHRNA7RPA1FAAHMALT1
SCHEMBL14504353 0.88 CA9 (0.61) CA9CHRNA7RPA1BCL2MDM2
SCHEMBL5152308 0.87 CA9 (0.54) CA9CHRNA7RPA1BCL2MDM2
SCHEMBL9353410 0.87 CHRNA7 (0.72) CA9CHRNA7RPA1FAAHMALT1
SCHEMBL9212244 0.87 CHRNA7 (0.72) CA9CHRNA7RPA1FAAHMALT1
SCHEMBL14504732 0.87 RPA1 (0.74) CHRNA7RPA1BCL2MDM2MCL1

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 8 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-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US 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-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 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

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 CA9 4006/4885CHRNA7 1626/4885RPA1 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.