SCHEMBL7109833

SCHEMBL7109833

COc1o[c]c2cccc(-c3ncccn3)c12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.35
DYRK1A Q13627 1/20 0.35
CYP19A1 P11511 1/20 0.31
NPC1 O15118 2/20 0.31
TP53 P04637 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL7454492 0.79 ADRA1A (0.36) CYP19A1ALDH1A1KDM4EGAAHSD17B10
SCHEMBL7111088 0.79 ADRA1A (0.35) HCRTR1HCRTR2CYP1A2
SCHEMBL4466910 0.64 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL7448786 0.64 CLK4 (0.35) CLK4DYRK1ACYP19A1NPC1TP53
SCHEMBL7105859 0.64 CLK4 (0.35) CLK4DYRK1ACYP19A1ALDH1A1CYP1A2
SCHEMBL17194888 0.63 CLK4 (0.43) CLK4DYRK1ACYP19A1NPC1TP53
SCHEMBL26260005 0.62 ALDH1A1 (0.52) TP53SMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL16790012 0.62 CYP1A2 (0.62) CLK4CYP19A1NPC1TP53RAB9A
SCHEMBL7111056 0.61 CLK4 (0.37) CLK4DYRK1ACYP19A1
SCHEMBL17198731 0.61 CLK4 (0.39) CLK4DYRK1ANPC1TP53RAB9A

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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 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-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 CLK4 4518/4885DYRK1A 4574/4885CYP19A1 2687/4885

“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.