SCHEMBL2294150

SCHEMBL2294150

CCOC(=O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccc(N)cc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.48
RAB9A P51151 11/20 0.48
SMN1; SMN2 Q16637 7/20 0.46
TP53 P04637 5/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
CNR2 P34972 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
SCHEMBL2291209 0.93 KDM4E (0.45) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL2296285 0.92 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL2299707 0.91 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53L3MBTL1
SCHEMBL2292078 0.88 LMNA (0.49) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL2293615 0.88 RAB9A (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12421963 0.88 NPC1 (0.52) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2299737 0.88 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2294337 0.88 FADS1 (0.43) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL2292935 0.86 ALDH1A1 (0.52) KDM4EALDH1A1HTTLMNAMEN1
SCHEMBL2299091 0.86 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 NPC1 2770/4885RAB9A 1893/4885SMN1; SMN2 2159/4885

“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.