SCHEMBL24740945

SCHEMBL24740945

COc1ccc2c(c1)C(CC(=O)N(C)CCN(C)C)=C(C)/C2=C/c1ccc(N(C)C)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.44
PPARG P37231 10/20 0.42
MAOB P27338 3/20 0.35
CYP1A2 P05177 2/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
PTGS2 P35354 2/20 0.34
EGFR P00533 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
DRD1 P21728 1/20 0.34
PTGS1 P23219 1/20 0.34
OPRM1 P35372 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CYSLTR1 Q9Y271 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
SCHEMBL17847838 0.87 RXRA (0.46) RXRAPPARGMAOBCYP1A2MAPT
SCHEMBL17847842 0.87 RXRA (0.46) RXRAPPARGMAOBCYP1A2MAPT
SCHEMBL17853893 0.87 PPARG (0.56) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL19862423 0.86 PPARG (0.49) RXRAPPARGCYP1A2MAPTMAPK1
SCHEMBL17854911 0.83 PPARG (0.52) RXRAPPARGMAOBCYP1A2MAPT
SCHEMBL17854899 0.79 PPARG (0.44) RXRAPPARGLCK
SCHEMBL17847722 0.76 HPGD (0.43) PPARGMAPTTDP1KDM4EALDH1A1
SCHEMBL17847723 0.76 HPGD (0.43) PPARGMAPTTDP1KDM4EALDH1A1
SCHEMBL17853898 0.75 PPARG (0.58) RXRAPPARGMAOBCYP1A2MAPT
SCHEMBL17847815 0.74 PPARG (0.42) RXRAPPARGMAOB

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-20220315553-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF ADT PHARMACEUTICALS, LLC (US) 2022-10-06 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-20220315553-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF INSRR, INSR, BRCA1 RXRA 124/4885PPARG 2965/4885MAOB 1257/4885

“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.