SCHEMBL6808925

SCHEMBL6808925

COC(=O)c1ccccc1Nc1cccc(C)c1Nc1ccccc1C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.62
MAPT P10636 3/20 0.59
ALOX15 P16050 1/20 0.59
KDM4E B2RXH2 5/20 0.56
POLB P06746 3/20 0.56
ATM Q13315 1/20 0.56
KMT2A Q03164 3/20 0.55
ALDH1A1 P00352 1/20 0.55
ALOX12 P18054 1/20 0.55
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
AKR1B10 O60218 1/20 0.53
TRPA1 O75762 1/20 0.53
ABCB11 O95342 1/20 0.53
DHFR P00374 1/20 0.53
MPO P05164 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CHRM1 P11229 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL30294456 0.87 MAPT (0.67) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL17145917 0.87 MAPT (0.67) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL16656520 0.87 PTGS2 (0.58) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL30593451 0.86 PTGS2 (0.71) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL11344390 0.86 PTGS2 (0.71) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL19065779 0.85 MAPT (0.79) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL16656521 0.84 PTGS2 (0.66) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL6141200 0.84 PTGS2 (0.73) PTGS2MAPTKDM4EPOLBKMT2A
SCHEMBL20419769 0.81 PTGS2 (0.62) PTGS2MAPTALOX15KDM4EPOLB
SCHEMBL18318760 0.81 MAPT (0.55) PTGS2MAPTALOX15KDM4EPOLB

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-20040142993-A1 Inhibitors of HCV NS5B polymerase PHARMACIA & UPJOHN COMPANY 2004-07-22 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-20040142993-A1 Inhibitors of HCV NS5B polymerase POLRMT, POLR1E, CTDSP1 PTGS2 1341/4885MAPT 3583/4885ALOX15 1403/4885

“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.