SCHEMBL4281258

SCHEMBL4281258

CC(C)(C)N(C(=O)O)C(C)(C)CCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
ALDH1A1 P00352 5/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.37
POLB P06746 2/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL16714956 0.78 MEN1 (0.50) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL2570416 0.77 GAA (0.59) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL15292529 0.77 GAA (0.62) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL11002341 0.74 GAA (0.51) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL4267823 0.74 GAA (0.48) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL4281261 0.74 GAA (0.48) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL15208141 0.73 GAA (0.44) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL4917285 0.73 GAA (0.54) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL15207605 0.73 GAA (0.43) GAAALDH1A1CYP1A2CYP2C9KMT2A
SCHEMBL1619883 0.71 ALDH1A1 (0.46) GAAALDH1A1CYP1A2CYP2C9KMT2A

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-7608627-B2 I kappa B kinase inhibition; diabetes; (7-Chloro-1H-pyrrolo[2,3-c]pyridin-2-yl)methanol; N-Benzyl-7-chloro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-27 US disclosed
US-20080064715-A1 6-Azaindole Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-03-13 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-20080064715-A1 6-Azaindole Compound RELA, NFKBIA, GPR119 GAA 4189/4885ALDH1A1 3508/4885CYP1A2 3216/4885

“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.