SCHEMBL2295703

SCHEMBL2295703

CCOC(=O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc21

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.54
KMT2A Q03164 6/20 0.54
HTT P42858 1/20 0.54
IRAK4 Q9NWZ3 5/20 0.51
IRAK1 P51617 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 5/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
G6PD P11413 1/20 0.44
SETD7 Q8WTS6 1/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 1/20 0.44
THRB P10828 1/20 0.43

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
SCHEMBL2298026 0.94 MEN1 (0.54) MEN1KMT2AHTTIRAK4IRAK1
SCHEMBL2295133 0.92 LMNA (0.49) MEN1KMT2AHTTIRAK4IRAK1
SCHEMBL2294002 0.89 MEN1 (0.50) MEN1KMT2AIRAK4L3MBTL1MAPT
SCHEMBL2292440 0.87 MAPT (0.41) MEN1KMT2AHTTMAPTLMNA
SCHEMBL2294756 0.86 ALDH1A1 (0.50) MEN1KMT2AHTTL3MBTL1MAPT
SCHEMBL2292078 0.86 LMNA (0.49) MEN1KMT2AHTTIRAK4MAPT
SCHEMBL2297316 0.85 NPC1 (0.43) MEN1KMT2AHTTMAPTLMNA
SCHEMBL2291209 0.84 KDM4E (0.45) HTTL3MBTL1MAPTNPC1RAB9A
SCHEMBL2296407 0.83 MEN1 (0.50) MEN1KMT2AIRAK4L3MBTL1MAPT
SCHEMBL2291367 0.83 ALOX5 (0.49) MEN1KMT2AIRAK4L3MBTL1MAPT

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 MEN1 2656/4885KMT2A 3680/4885HTT 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.