SCHEMBL4126615

SCHEMBL4126615

COC(=O)c1cc(C(C)(C)CNC(=O)OC(C)(C)C)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43
KDM4A O75164 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
SERPINE1 P05121 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL4134700 0.88 NPC1 (0.38) GAALMNAKDM4AMEN1KMT2A
SCHEMBL4699942 0.78 L3MBTL1 (0.45) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL4142173 0.77 ALDH1A1 (0.49) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL23704882 0.74 MDH1 (0.45) KDM4A
SCHEMBL13834197 0.74 ALDH1A1 (0.54) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL630419 0.71 IDO1 (0.47) GAAKDM4AMEN1KMT2A
SCHEMBL12525332 0.70 ALDH1A1 (0.50) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL1004594 0.70 BAZ2B (0.44) ALDH1A1GAALMNABAZ2BBAZ2A
SCHEMBL3699220 0.70 SHBG (0.49) ALDH1A1GAALMNAKDM4A
SCHEMBL23705343 0.69 TPMT (0.42) ALDH1A1GAAKDM4AMEN1KMT2A

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-20090137554-A1 1,4,5,6-TETRAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY WYETH (US) 2009-05-28 US disclosed
US-20090131409-A1 1,4,5,6,7,8-HEXAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY WYETH (US) 2009-05-21 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 (2 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-20090137554-A1 1,4,5,6-TETRAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY NR5A2, NR1H2, NR2C2 ALDH1A1 3508/4885GAA 4636/4885LMNA 3385/4885
US-20090131409-A1 1,4,5,6,7,8-HEXAHYDRO -PYRROLO[2,3-d]AZEPINES AND -IMIDAZO[4,5-d]AZEPINES AS MODULATORS OF NUCLEAR RECEPTOR ACTIVITY NR1H2, NR1H3, NR5A2 ALDH1A1 3909/4885GAA 4784/4885LMNA 3753/4885

“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.