SCHEMBL2298596

SCHEMBL2298596

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)C3=CCCCC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
NPC1 O15118 6/20 0.36
RAB9A P51151 6/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
MCHR1 Q99705 1/20 0.34
BACE1 P56817 1/20 0.34
ITGB3 P05106 3/20 0.34
ITGA2B P08514 1/20 0.34
ITGA2 P17301 1/20 0.34
ATM Q13315 1/20 0.34
NOTUM Q6P988 2/20 0.33
ITGAV P06756 2/20 0.33
ITGB5 P18084 2/20 0.33
ALDH1A1 P00352 2/20 0.33
TP53 P04637 2/20 0.33
MAPK1 P28482 1/20 0.33
TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL2293462 0.93 NPC1 (0.42) SIRT2SIRT1SIRT3NPC1RAB9A
SCHEMBL2294478 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2299723 0.81 GRM4 (0.48) NPC1RAB9ASMN1; SMN2
SCHEMBL2292264 0.80 NPC1 (0.44) NPC1RAB9ASMN1; SMN2LMNAATM
SCHEMBL2299812 0.80 NPC1 (0.45) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2295598 0.80 MEN1 (0.43) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2295384 0.80 KCNK3 (0.46) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL2299394 0.80 F2 (0.44) NPC1RAB9ASMN1; SMN2MCHR1TP53
SCHEMBL2292514 0.80 RAB9A (0.47) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2292578 0.80 KDM4E (0.44) NPC1RAB9ASMN1; SMN2LMNAALDH1A1

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 SIRT2 1990/4885SIRT1 1944/4885SIRT3 1797/4885

“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.