SCHEMBL2298585

SCHEMBL2298585

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.51
LMNA P02545 1/20 0.50
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNE1 P15382 2/20 0.46
KCNQ1 P51787 2/20 0.46
MAPT P10636 2/20 0.46
KCNQ5 Q9NR82 1/20 0.45
PTGS1 P23219 2/20 0.45
P2RX1 P51575 1/20 0.45
CBLB Q13191 1/20 0.45
BRAF P15056 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.44
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44

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
SCHEMBL2299632 0.93 KCNK3 (0.51) KCNK3LMNARAB9AKCNQ3KCNQ2
SCHEMBL2295869 0.92 NPC1 (0.50) LMNARAB9ANPC1MAPTMEN1
SCHEMBL2295674 0.89 NPC1 (0.56) LMNARAB9ANPC1MAPTMEN1
SCHEMBL2291378 0.86 NPC1 (0.62) KCNK3LMNARAB9ANPC1MAPT
SCHEMBL2298695 0.86 RAB9A (0.48) LMNARAB9ANPC1MAPTMEN1
SCHEMBL2292708 0.86 NPC1 (0.48) LMNARAB9ANPC1MAPTPTGS1
SCHEMBL2298685 0.86 NPC1 (0.48) LMNARAB9ANPC1MAPTMEN1
SCHEMBL5294216 0.86 AVPR2 (0.46) KCNK3LMNARAB9ANPC1ALDH1A1
SCHEMBL2300670 0.85 NPC1 (0.49) LMNARAB9ANPC1MAPTMEN1
SCHEMBL5301051 0.85 AURKA (0.47) LMNARAB9ANPC1MAPTMEN1

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 4 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

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 KCNK3 1691/4885LMNA 1740/4885RAB9A 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.