SCHEMBL29794050

SCHEMBL29794050

CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)/C=C/c2ccncc2)c(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.54
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 3/20 0.51
ALDH1A1 P00352 2/20 0.51
RAB9A P51151 1/20 0.51
KIF11 P52732 1/20 0.50
HSD17B10 Q99714 3/20 0.49
ALOX15 P16050 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 1/20 0.47
ADORA2B P29275 3/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL29794064 1.00 GAA (0.54) GAAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL29794036 0.91 GAA (0.55) GAAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL29793947 0.91 GAA (0.55) GAAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL29793892 0.91 GAA (0.65) GAAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL29794088 0.91 GAA (0.65) GAAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL29794027 0.91 TSHR (0.61) GAAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL29794047 0.91 TSHR (0.61) GAAMAPK1SMN1; SMN2TSHRALDH1A1
SCHEMBL29794049 0.91 CA1 (0.50) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL29793999 0.91 CA1 (0.50) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL26671793 0.89 GAA (0.41) GAAMAPK1SMN1; SMN2TSHRALDH1A1

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-20220235004-A1 PARA ACYL SUBSTITUTED DIAZACYCLOHEXENE DERIVATIVES Renovel Innovations, Inc. 2022-07-28 US claimed

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-20220235004-A1 PARA ACYL SUBSTITUTED DIAZACYCLOHEXENE DERIVATIVES AADAC, TBXA2R, DPP8 GAA 1582/4885MAPK1 4760/4885SMN1; SMN2 2572/4885

“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.