SCHEMBL25044540

SCHEMBL25044540

COc1ccc(COCc2cccc(C(Cl)c3ccc4c(c3)nnn4C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KEAP1 Q14145 10/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NFE2L2 Q16236 7/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
DHODH Q02127 1/20 0.36
CYP19A1 P11511 1/20 0.35
CTNNB1 P35222 1/20 0.35
HCAR3 P49019 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL20313343 0.90 KDM4E (0.42) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL20316320 0.81 KDM4E (0.42) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL20312710 0.80 KEAP1 (0.46) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23634123 0.79 CA1 (0.38) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL18322537 0.76 KEAP1 (0.47) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL31697556 0.76 KEAP1 (0.47) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL9524820 0.75 KEAP1 (0.52) KDM4ENPC1ALDH1A1MAPTRAB9A
SCHEMBL24650615 0.75 KEAP1 (0.38) KDM4ENPC1RAB9ASMN1; SMN2KEAP1
SCHEMBL29490008 0.75 KEAP1 (0.38) KDM4ENPC1RAB9ASMN1; SMN2KEAP1
SCHEMBL16406906 0.74 APP (0.49) KDM4ENPC1ALDH1A1MAPTRAB9A

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-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 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-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 KDM4E 1750/4885NPC1 316/4885ALDH1A1 621/4885

“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.