SCHEMBL20409059

SCHEMBL20409059

COc1ccc2c(c1)C(CC(=O)NCCC(C)C)=C(C)/C2=C/c1cnc(N(C)C)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.42
PPARG P37231 1/20 0.41
MAOB P27338 1/20 0.41
CA12 O43570 6/20 0.40
CA4 P22748 6/20 0.40
CA9 Q16790 6/20 0.40
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
HPGD P15428 3/20 0.38
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 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
SCHEMBL17847815 0.89 PPARG (0.42) RXRAPPARGMAOBCA12CA4
SCHEMBL17847820 0.89 PPARG (0.42) RXRAPPARGMAOBCA12CA4
SCHEMBL17853898 0.83 PPARG (0.58) RXRAPPARGMAOBKDM4EALDH1A1
SCHEMBL17847897 0.81 HPGD (0.46) PPARGMAOBHPGDNPC1RAB9A
SCHEMBL17847896 0.81 HPGD (0.46) PPARGMAOBHPGDNPC1RAB9A
SCHEMBL17853902 0.80 MAOB (0.39) RXRAPPARGMAOBCA12CA4
SCHEMBL17847796 0.76 PPARG (0.43) RXRAPPARGMAOBCA12CA4
SCHEMBL17847794 0.76 PPARG (0.43) RXRAPPARGMAOBCA12CA4
SCHEMBL17853883 0.74 PPARG (0.45) RXRAPPARGMAOBCA12CA4
SCHEMBL17821304 0.74 LCK (0.44) RXRAPPARGCA12CA4CA9

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-20180208573-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF BOYD, MICHAEL R. 2018-07-26 US disclosed
US-20180208573-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF BOYD, MICHAEL R. 2018-07-26 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-20180208573-A1 INDENYL COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND MEDICAL USES THEREOF INSRR, INSR, BRCA1 RXRA 156/4885PPARG 2746/4885MAOB 1037/4885

“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.