SCHEMBL7887151

SCHEMBL7887151

[C-]#[N+]Cn1c(C(=O)OCC)cc2cc(OC)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 5/20 0.48
HPGD P15428 4/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PTGS2 P35354 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NOD2 Q9HC29 1/20 0.45
NOD1 Q9Y239 1/20 0.45
MTNR1A P48039 3/20 0.44
MTNR1B P49286 3/20 0.44
CCR2 P41597 1/20 0.44
ATM Q13315 1/20 0.44
CRHBP P24387 1/20 0.43

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
SCHEMBL4051157 0.84 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1HPGDLMNA
SCHEMBL3952568 0.83 HSD17B10 (0.56) L3MBTL1KDM4EALDH1A1HPGDLMNA
SCHEMBL7887147 0.82 L3MBTL1 (0.53) L3MBTL1KDM4EALDH1A1HPGDLMNA
SCHEMBL3954003 0.81 L3MBTL1 (0.49) L3MBTL1KDM4EALDH1A1HPGDLMNA
SCHEMBL9622481 0.80 NOD2 (0.64) KDM4EALDH1A1HPGDPTGS2MEN1
SCHEMBL2686875 0.80 L3MBTL1 (0.76) L3MBTL1KDM4EALDH1A1HPGDLMNA
SCHEMBL17327016 0.79 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1HPGDLMNA
SCHEMBL5093926 0.77 CCR9 (0.64) L3MBTL1KDM4EALDH1A1HTTPTGS2
SCHEMBL18247639 0.76 MTNR1A (0.57) L3MBTL1KDM4EALDH1A1HPGDLMNA
SCHEMBL12352765 0.74 MTNR1A (0.61) L3MBTL1KDM4EALDH1A1HPGDLMNA

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-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 L3MBTL1 4695/4885KDM4E 1263/4885ALDH1A1 3904/4885

“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.