SCHEMBL7110737

SCHEMBL7110737

COc1o[c]c2cccc(-c3ccccn3)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.39
NPC1 O15118 7/20 0.39
RAB9A P51151 6/20 0.39
TP53 P04637 6/20 0.39
KDM4E B2RXH2 5/20 0.39
PKM P14618 4/20 0.39
GAA P10253 3/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
LMNA P02545 3/20 0.35
CCR1 P32246 2/20 0.35
CCR5 P51681 2/20 0.35
CCR8 P51685 2/20 0.35

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
SCHEMBL7109833 0.84 CLK4 (0.35) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL7454492 0.84 ADRA1A (0.36) KDM4EGAAHSD17B10ALDH1A1TYK2
SCHEMBL7111088 0.76 ADRA1A (0.35) HCRTR1HCRTR2CYP1A2ADRA1DADRA1A
SCHEMBL20172587 0.70 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL7446349 0.67 KDM4E (0.42) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL29496935 0.67 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL2039527 0.67 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL7111089 0.67 SMN1; SMN2 (0.42) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL7107797 0.67 SMN1; SMN2 (0.36) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL26260016 0.66 KDM4E (0.58) SMN1; SMN2NPC1RAB9ATP53KDM4E

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 SMN1; SMN2 3318/4885NPC1 3537/4885RAB9A 1158/4885

“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.