SCHEMBL4099709

SCHEMBL4099709

CCC(=O)CNC(=O)c1cc(C#N)c(=O)n(COCC[Si](C)(C)C)c1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.37
EGLN1 Q9GZT9 3/20 0.31
KLKB1 P03952 1/20 0.31
KLK1 P06870 1/20 0.31
MAPT P10636 2/20 0.31
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
PKM P14618 1/20 0.31
KDM5A P29375 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
HSD17B10 Q99714 1/20 0.30
POLB P06746 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
SCHEMBL4115104 0.85 L3MBTL1 (0.43) L3MBTL1NPC1EGLN1KLKB1KLK1
SCHEMBL4106191 0.83 L3MBTL1 (0.49) L3MBTL1NPC1MAPTALDH1A1KDM4E
SCHEMBL4110150 0.83 L3MBTL1 (0.49) L3MBTL1MAPTALDH1A1HPGDGLA
SCHEMBL4118608 0.69 L3MBTL1 (0.33) L3MBTL1NPC1ALDH1A1KDM5AKDM4E
SCHEMBL4104664 0.69 P2RY12 (0.34) L3MBTL1NPC1ALDH1A1KDM5AKDM4E
SCHEMBL949202 0.66 TSHR (0.39) NPC1MAPTALDH1A1HPGDGLA
SCHEMBL23163199 0.65 SMN1; SMN2 (0.41) NPC1MAPTALDH1A1PKMKDM4E
SCHEMBL17796240 0.63 ALDH1A1 (0.34) NPC1MAPTALDH1A1HPGDGLA
SCHEMBL15747072 0.63 NPC1 (0.43) NPC1EGLN1MAPT
SCHEMBL4882220 0.62 ALDH1A1 (0.38) L3MBTL1MAPTALDH1A1HPGDGLA

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
US-20090227555-A2 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-09-10 US disclosed
US-20090042852-A1 Novel Pyridine Compounds ASTRAZENECA AB (SE) 2009-02-12 US disclosed
US-20080312208-A1 Pyridine Analogues ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO 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 (3 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-20090042852-A1 Novel Pyridine Compounds P2RY12, P2RY11, P2RY1 L3MBTL1 4838/4885NPC1 3171/4885EGLN1 2894/4885
US-20090227555-A2 Novel Pyridine Compounds P2RY12, P2RY1, P2RY11 L3MBTL1 4877/4885NPC1 3970/4885EGLN1 2033/4885
US-20080312208-A1 Pyridine Analogues P2RY12, P2RY11, P2RY1 L3MBTL1 4857/4885NPC1 3327/4885EGLN1 1908/4885

“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.