SCHEMBL20683081

SCHEMBL20683081

CC(C)c1nc2ccc(C(O)NCCCO)cc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 6/20 0.50
ALDH1A1 P00352 2/20 0.44
ALOX15 P16050 1/20 0.44
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTT P42858 2/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MLKL Q8NB16 2/20 0.40
ALPL P05186 1/20 0.38
ALPI P09923 1/20 0.38
ALPG P10696 1/20 0.38
RAD52 P43351 1/20 0.37

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
SCHEMBL798790 0.75 SCN10A (0.69) SCN10AALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL20683080 0.75 KDM4E (0.49) ALDH1A1KDM4EHSD17B10HTTHPGD
SCHEMBL23815820 0.72 SCN10A (0.71) SCN10AALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL24998835 0.71 SCN10A (0.56) SCN10AALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL4240625 0.70 ALDH1A1 (0.63) SCN10AALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL14197238 0.68 KDM4E (0.57) SCN10AALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL2706618 0.67 KDM4E (0.57) SCN10ACYP1A2KDM4ELMNAHSD17B10
SCHEMBL890080 0.66 CYP1A2 (0.75) SCN10AALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL10141265 0.66 ALDH1A1 (0.60) SCN10AALDH1A1ALOX15CYP1A2KDM4E
SCHEMBL18930199 0.65 SCN10A (0.49) SCN10AALDH1A1ALOX15CYP1A2KDM4E

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-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders BIOELECTRON TECHNOLOGY CORPORATION (US) 2019-01-29 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-10189830-B2 Alkyl-heteroaryl substituted quinone derivatives for treatment of oxidative stress disorders NQO1, COQ8A, NDUFAB1 SCN10A 2984/4885ALDH1A1 605/4885ALOX15 290/4885

“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.