SCHEMBL4904368

SCHEMBL4904368

CCOC(=O)c1c(OC(=O)c2ccccc2)c2ncc(Cc3ccc(F)cc3C(=O)N(C)C)cc2n(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPK14 Q16539 4/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
POLB P06746 1/20 0.33
PABPC1 P11940 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.32
ALOX15 P16050 1/20 0.32
PTGS1 P23219 1/20 0.32

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
SCHEMBL4896197 0.94 THRB (0.34) THRBALDH1A1KDM4ETSHRMAPT
SCHEMBL4904278 0.93 THRB (0.35) THRBALDH1A1KDM4ETSHRMAPT
SCHEMBL4909515 0.93 ALDH1A1 (0.37) THRBALDH1A1KDM4ETSHRMAPT
SCHEMBL4898503 0.92 THRB (0.37) THRBALDH1A1KDM4ETSHRMAPT
SCHEMBL4899899 0.92 THRB (0.34) THRBALDH1A1KDM4ETSHRMAPT
SCHEMBL4906748 0.90 ALDH1A1 (0.36) THRBALDH1A1KDM4ETSHRMAPT
SCHEMBL14067449 0.89 ALDH1A1 (0.38) THRBALDH1A1KDM4ETSHRMAPT
SCHEMBL14067482 0.89 ALDH1A1 (0.38) THRBALDH1A1KDM4ETSHRMAPT
SCHEMBL4901065 0.89 ALDH1A1 (0.36) THRBALDH1A1KDM4ETSHRMAPT
SCHEMBL4894963 0.88 ALDH1A1 (0.34) THRBALDH1A1KDM4ETSHRMAPT

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-20080214527-A1 Hiv Integrase Inhibitors SHIONOGI & CO. LTD (JP) 2008-09-04 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-20080214527-A1 Hiv Integrase Inhibitors API5, ING2, SAMHD1 THRB 3610/4885ALDH1A1 2874/4885KDM4E 1139/4885

“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.