SCHEMBL2295133

SCHEMBL2295133

CCOC(=O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
MAPT P10636 10/20 0.48
KDM4E B2RXH2 1/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
TP53 P04637 3/20 0.45
RAB9A P51151 4/20 0.44
HTT P42858 1/20 0.43
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 4/20 0.42
IRAK4 Q9NWZ3 2/20 0.42
MITF O75030 1/20 0.42
THRB P10828 1/20 0.42
IRAK1 P51617 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL2292078 0.94 LMNA (0.49) LMNAMAPTKDM4EKMT2AMEN1
SCHEMBL2295703 0.92 MEN1 (0.54) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL2297466 0.89 KMT2A (0.47) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2291209 0.88 KDM4E (0.45) MAPTKDM4ETP53RAB9AHTT
SCHEMBL2294756 0.87 ALDH1A1 (0.50) LMNAMAPTKDM4EKMT2AMEN1
SCHEMBL2294472 0.86 NPC1 (0.41) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2298026 0.86 MEN1 (0.54) LMNAMAPTKMT2AMEN1RAB9A
SCHEMBL8266072 0.84 KMT2A (0.46) MAPTKMT2AMEN1TP53RAB9A
SCHEMBL2292440 0.84 MAPT (0.41) LMNAMAPTKDM4EKMT2AMEN1
SCHEMBL2291367 0.82 ALOX5 (0.49) LMNAMAPTKMT2AMEN1RAB9A

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 LMNA 1740/4885MAPT 4745/4885KDM4E 1654/4885

“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.