SCHEMBL5147728

SCHEMBL5147728

COc1ccc(-n2nc(OC)cc2-c2ccc(OCCNC(N)=S)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PTGS2 P35354 11/20 0.44
PTGS1 P23219 5/20 0.44
CHRNA7 P36544 1/20 0.44
MALT1 Q9UDY8 1/20 0.42
FABP3 P05413 1/20 0.42
FABP4 P15090 1/20 0.42
RPA1 P27694 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41

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
SCHEMBL5152203 0.90 MALT1 (0.47) CA1CA2CA9PTGS2PTGS1
SCHEMBL5148979 0.86 RPA1 (0.50) PTGS2PTGS1MALT1FABP3FABP4
SCHEMBL14505148 0.83 PTGS2 (0.52) CA1CA2CA9PTGS2PTGS1
SCHEMBL5148781 0.83 BCL2 (0.47) CA1CA2CA9PTGS2PTGS1
SCHEMBL5147706 0.82 PTGS2 (0.50) CA1CA2CA9PTGS2PTGS1
SCHEMBL5148645 0.82 MALT1 (0.47) CA1CA2CA9PTGS2PTGS1
SCHEMBL5148977 0.81 BCL2 (0.43) CA1CA2CA9CHRNA7MALT1
SCHEMBL5150600 0.81 CHRNA7 (0.46) CA1CA2CA9PTGS2PTGS1
Hydrochloric Acid SCHEMBL5148575 0.81 PTGS2 (0.50) CA1CA2CA9PTGS2PTGS1
SCHEMBL5147693 0.81 MALT1 (0.41) CA1CA2CA9PTGS2PTGS1

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 2 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

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.