SCHEMBL2296285

SCHEMBL2296285

CCOC(=O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cccc(N)c3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.46
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CBLB Q13191 1/20 0.41
TP53 P04637 4/20 0.40
ELANE P08246 1/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.39
THRB P10828 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL2292440 0.93 MAPT (0.41) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2294150 0.92 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2299091 0.90 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2292708 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2298026 0.87 MEN1 (0.54) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL2293615 0.87 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2294337 0.86 FADS1 (0.43) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2299707 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2291209 0.85 KDM4E (0.45) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2292935 0.85 ALDH1A1 (0.52) LMNAMEN1KMT2AMAPTKDM4E

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 7 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
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 NPC1 2770/4885RAB9A 1893/4885SMN1; SMN2 2159/4885

“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.