SCHEMBL4063190

SCHEMBL4063190

C[Sn](C)(C)c1cnn(C(=O)OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
HTR2C P28335 1/20 0.42
P2RX4 Q99571 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CTRB1 P17538 1/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL16804931 0.82 ALDH1A1 (0.49) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL23481671 0.81 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL3916011 0.79 NPC1 (0.45) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL16803969 0.78 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL20173268 0.78 ALDH1A1 (0.44) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL29010237 0.76 NPC1 (0.43) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL3922553 0.76 P2RX4 (0.45) ALDH1A1NPC1RAB9AL3MBTL1HTR2C
SCHEMBL29010236 0.74 PARP1 (0.48) ALDH1A1NPC1RAB9AL3MBTL1P2RX4
SCHEMBL29010240 0.74 MAPT (0.44) ALDH1A1NPC1RAB9AL3MBTL1P2RX4
SCHEMBL28710153 0.74 SMN1; SMN2 (0.44) ALDH1A1NPC1RAB9AL3MBTL1P2RX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 US disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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 (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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 ALDH1A1 4166/4885NPC1 3859/4885RAB9A 877/4885

“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.