SCHEMBL2297333

SCHEMBL2297333

COc1cccc(OC)c1C(=O)Nc1ccc2c(c1)ncn2C(CC(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 5/20 0.49
SMN1; SMN2 Q16637 6/20 0.47
MAPT P10636 3/20 0.46
PRNP P04156 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
ALDH1A1 P00352 1/20 0.44
IDE P14735 1/20 0.44
GFER P55789 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.42

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
SCHEMBL2294395 0.93 MAPT (0.46) ADRA2BSMN1; SMN2MAPTRAB9ALMNA
SCHEMBL12421961 0.92 ADRA2B (0.50) ADRA2BSMN1; SMN2MAPTPRNPL3MBTL1
SCHEMBL5287546 0.90 ADRA2B (0.47) ADRA2BSMN1; SMN2MAPTPRNPL3MBTL1
SCHEMBL5301613 0.89 PRNP (0.47) ADRA2BSMN1; SMN2MAPTPRNPL3MBTL1
SCHEMBL2295562 0.85 LMNA (0.48) ADRA2BSMN1; SMN2MAPTRAB9ANPC1
SCHEMBL2299767 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MAPTPRNPL3MBTL1RAB9A
SCHEMBL2292853 0.85 ALDH1A1 (0.47) ADRA2BSMN1; SMN2MAPTPRNPL3MBTL1
SCHEMBL2295674 0.84 NPC1 (0.56) SMN1; SMN2MAPTPRNPL3MBTL1RAB9A
SCHEMBL2292725 0.84 RAB9A (0.44) SMN1; SMN2RAB9ANPC1LMNATP53
SCHEMBL5300999 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MAPTRAB9ANPC1LMNA

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 10 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 claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
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 ADRA2B 704/4885SMN1; SMN2 2159/4885MAPT 4745/4885

“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.