SCHEMBL2299707

SCHEMBL2299707

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.46
RAB9A P51151 10/20 0.46
SMN1; SMN2 Q16637 6/20 0.43
TP53 P04637 4/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
F2 P00734 2/20 0.40
F10 P00742 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL2299091 0.94 NPC1 (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2294472 0.93 NPC1 (0.41) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL2294150 0.91 NPC1 (0.48) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL12420296 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2297559 0.89 NPC1 (0.47) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2293615 0.88 RAB9A (0.45) NPC1RAB9ASMN1; SMN2GAAL3MBTL1
SCHEMBL2297316 0.87 NPC1 (0.43) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2292078 0.86 LMNA (0.49) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2296285 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2TP53LMNA
SCHEMBL2296414 0.85 MAPT (0.44) NPC1RAB9ASMN1; SMN2TP53LMNA

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
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
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

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.