SCHEMBL2295040

SCHEMBL2295040

CCOC(=O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 5/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 4/20 0.46
RAB9A P51151 3/20 0.44
GLA P06280 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTT P42858 1/20 0.44
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2294756 0.94 ALDH1A1 (0.50) THRBTP53ALDH1A1GAASMN1; SMN2
SCHEMBL2292078 0.87 LMNA (0.49) THRBTP53SMN1; SMN2MAPTMEN1
SCHEMBL2294337 0.87 FADS1 (0.43) TP53ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2298026 0.86 MEN1 (0.54) THRBMAPTMEN1KMT2ALMNA
SCHEMBL2294085 0.85 MAPT (0.47) TP53ALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2296414 0.83 MAPT (0.44) TP53ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL2295684 0.82 MEN1 (0.46) THRBALDH1A1GAASMN1; SMN2MAPT
SCHEMBL2294150 0.82 NPC1 (0.48) THRBTP53ALDH1A1GAASMN1; SMN2
SCHEMBL2295133 0.81 LMNA (0.49) THRBTP53SMN1; SMN2MAPTMEN1
SCHEMBL2296285 0.80 NPC1 (0.46) THRBTP53ALDH1A1SMN1; SMN2MAPT

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 THRB 1337/4885TP53 665/4885ALDH1A1 1381/4885

“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.