SCHEMBL2294482

SCHEMBL2294482

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)Cc3ccccc3)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ITGB3 P05106 2/20 0.44
ITGAV P06756 2/20 0.44
NR1I2 O75469 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AURKA O14965 1/20 0.43
ROCK2 O75116 1/20 0.43
EPHX2 P34913 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41

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
SCHEMBL2298594 0.94 KMT2A (0.46) NAMPTNPC1RAB9AKDM4EKMT2A
SCHEMBL5289381 0.93 ITGB1 (0.44) NAMPTNPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL2294562 0.93 MAPT (0.44) NAMPTNPC1RAB9AKDM4EKMT2A
SCHEMBL2291392 0.92 KMT2A (0.51) NAMPTNPC1RAB9AKDM4EKMT2A
SCHEMBL2295665 0.92 PSEN1 (0.45) NAMPTNPC1RAB9AKDM4EKMT2A
SCHEMBL5302818 0.91 NAMPT (0.40) NAMPTNPC1RAB9AKDM4EKMT2A
SCHEMBL2292763 0.91 MAPT (0.50) RAB9AKDM4EKMT2AMEN1LMNA
SCHEMBL5291502 0.90 BCHE (0.46) NAMPTNPC1RAB9AKDM4EKMT2A
SCHEMBL2294711 0.90 ALDH1A1 (0.47) NAMPTKDM4EKMT2AMEN1LMNA
SCHEMBL2294905 0.89 USP2 (0.51) RAB9AKMT2AMEN1LMNAALDH1A1

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 NAMPT 1118/4885NPC1 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.