SCHEMBL2294337

SCHEMBL2294337

CCOC(=O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccccc3N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 2/20 0.43
NPC1 O15118 9/20 0.42
RAB9A P51151 9/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
OPRL1 P41146 2/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 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
SCHEMBL2295817 0.88 FADS1 (0.46) FADS1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2294150 0.88 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2294085 0.87 MAPT (0.47) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2295040 0.87 THRB (0.51) RAB9ASMN1; SMN2LMNAKMT2AMEN1
SCHEMBL2296285 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2296414 0.86 MAPT (0.44) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2299707 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAKMT2A
SCHEMBL2293615 0.83 RAB9A (0.45) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12420299 0.83 FADS1 (0.44) FADS1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2299091 0.83 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAKMT2A

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 FADS1 4455/4885NPC1 2770/4885RAB9A 1893/4885

“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.