SCHEMBL2291209

SCHEMBL2291209

CCOC(=O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(N)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
TP53 P04637 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 1/20 0.41
ACSS2 Q9NR19 1/20 0.38
PSMD14 O00487 1/20 0.38
MMP2 P08253 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL2294150 0.93 NPC1 (0.48) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL2292440 0.92 MAPT (0.41) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL2294472 0.91 NPC1 (0.41) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL2295133 0.88 LMNA (0.49) KDM4EHTTNPC1RAB9ATP53
SCHEMBL2296047 0.88 NPC1 (0.42) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL2292529 0.86 ALDH1A1 (0.52) KDM4EALDH1A1HTTMAPTTDP1
SCHEMBL2297316 0.86 NPC1 (0.43) ALDH1A1HTTNPC1RAB9ATP53
SCHEMBL2296285 0.85 NPC1 (0.46) KDM4EALDH1A1HTTNPC1RAB9A
SCHEMBL2299707 0.84 NPC1 (0.46) NPC1RAB9ATP53SMN1; SMN2MAPT
SCHEMBL2295703 0.84 MEN1 (0.54) ALDH1A1HTTNPC1RAB9AMAPT

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 7 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-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 KDM4E 1654/4885ALDH1A1 1381/4885HTT 4869/4885

“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.