SCHEMBL13850428

SCHEMBL13850428

COc1ccc(CCN2C(=O)N(CC(C)C)C(=O)C23CCN(S(=O)(=O)c2cc(CC=O)ccc2C)CC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 3/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 5/20 0.35
GAA P10253 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
PKM P14618 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
KCNH2 Q12809 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL13850487 0.92 ALDH1A1 (0.41) LMNAALDH1A1GAAMEN1KMT2A
SCHEMBL2908873 0.89 MEN1 (0.37) KCNA5LMNAALDH1A1MAPTGAA
SCHEMBL2914933 0.88 MEN1 (0.39) KCNA5LMNAALDH1A1MAPTGAA
SCHEMBL13850491 0.81 HTR1A (0.40) KCNA5LMNAALDH1A1MEN1KMT2A
SCHEMBL2916806 0.81 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL2914544 0.75 GSK3A (0.41) KCNA5ALDH1A1MAPTMEN1KMT2A
SCHEMBL2942975 0.74 SIGMAR1 (0.48) MEN1KMT2APOLBTSHRMMP1
SCHEMBL2909202 0.74 KCNA5 (0.36) KCNA5LMNAALDH1A1MAPTGAA
SCHEMBL2914991 0.73 PPARA (0.41) KCNA5
SCHEMBL2909050 0.73 PTGDR (0.44) KCNA5

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-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS IRM LLC (BM) 2009-05-28 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-20090137610-A1 SPIRO IMIDOZOLE DERIVATIVES AS PPAR MODULATORS PPARD, PPARG, PPARA KCNA5 3133/4885LMNA 2231/4885ALDH1A1 736/4885

“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.