SCHEMBL3953149

SCHEMBL3953149

COc1ccc2c(c1)cc(C(=O)O)n2CCO

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 3/20 0.68
HSD17B10 Q99714 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
CCR2 P41597 4/20 0.61
L3MBTL1 Q9Y468 1/20 0.56
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
CCR9 P51686 1/20 0.49
PLA2G4A P47712 1/20 0.48
SRD5A2 P31213 1/20 0.48
ABCB11 O95342 1/20 0.47
MTNR1A P48039 2/20 0.47
MTNR1B P49286 2/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46

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
SCHEMBL4365830 0.86 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL28044292 0.86 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL700814 0.86 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4375589 0.85 KDM4E (0.63) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4364937 0.84 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL6703464 0.82 KDM4E (0.62) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4539709 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL3817923 0.81 KDM4E (0.60) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL9536869 0.81 CCR2 (0.76) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4369004 0.81 KDM4E (1.00) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
WO-2009097515-A2 [A]-FUSED INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-08-06 WO disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 US disclosed
US-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-30 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-20090192147-A1 [a]-FUSED INDOLE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PIK3C2A KDM4E 1263/4885ALDH1A1 3904/4885HPGD 2539/4885

“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.