SCHEMBL2299682

SCHEMBL2299682

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(C4CCCCC4)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
NAMPT P43490 2/20 0.43
DGAT1 O75907 1/20 0.42
MCHR1 Q99705 5/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
SIRT3 Q9NTG7 1/20 0.41
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL2294942 0.93 HDAC3 (0.44) DEGS1HDAC3HDAC11HDAC8HDAC6
SCHEMBL2294478 0.87 NPC1 (0.48) NPC1RAB9A
SCHEMBL2299812 0.85 NPC1 (0.45) NPC1RAB9A
SCHEMBL2299394 0.85 F2 (0.44) DEGS1MCHR1NPC1RAB9A
SCHEMBL2296047 0.85 NPC1 (0.42) NPC1RAB9A
SCHEMBL2292564 0.85 NPC1 (0.51) NPC1RAB9A
SCHEMBL2297422 0.85 KMT2A (0.46) NPC1RAB9A
SCHEMBL2297005 0.85 MAPT (0.49) NPC1RAB9ATRPV1
SCHEMBL2295384 0.84 KCNK3 (0.46) NPC1RAB9A
SCHEMBL2297644 0.83 NPC1 (0.48) NPC1RAB9ATRPV1

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 DEGS1 2398/4885HDAC3 277/4885HDAC11 326/4885

“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.