SCHEMBL2293265

SCHEMBL2293265

O=C(O)CC(c1ccccc1)n1cnc2cc(C(=O)Nc3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NAMPT P43490 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.45
NPC1 O15118 4/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
HCAR3 P49019 1/20 0.44
PPARG P37231 5/20 0.42
FGFR1 P11362 4/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL2295674 0.89 NPC1 (0.56) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL12420237 0.89 RAB9A (0.51) RAB9AMEN1KMT2ANAMPTNPC1
SCHEMBL2296016 0.88 NPC1 (0.50) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2294143 0.88 NPC1 (0.53) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL12420308 0.87 RAB9A (0.47) RAB9AMEN1KMT2ANAMPTPTGDR2
SCHEMBL2293615 0.87 RAB9A (0.45) RAB9AMEN1KMT2ANAMPTNPC1
SCHEMBL2294968 0.87 NPC1 (0.59) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2296419 0.87 NPC1 (0.49) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2299737 0.87 NPC1 (0.49) RAB9AMEN1KMT2ANPC1ALDH1A1
SCHEMBL2296039 0.87 NPC1 (0.52) RAB9AMEN1KMT2ANPC1ALDH1A1

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 8 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
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US 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 RAB9A 1893/4885MEN1 2656/4885KMT2A 3680/4885

“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.