SCHEMBL2294562

SCHEMBL2294562

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)Cc3ccc(Br)cc3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
NLRP3 Q96P20 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 1/20 0.42
HPSE Q9Y251 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
SRC P12931 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ITGB1 P05556 2/20 0.41
ITGA4 P13612 2/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2294482 0.93 NAMPT (0.48) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL2299814 0.93 LMNA (0.45) MAPTNLRP3MEN1KMT2ALMNA
SCHEMBL2298594 0.91 KMT2A (0.46) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL5289381 0.91 ITGB1 (0.44) MAPTNLRP3NAMPTFNTAFNTB
SCHEMBL2292763 0.88 MAPT (0.50) MAPTNLRP3MEN1KMT2ALMNA
SCHEMBL5291502 0.88 BCHE (0.46) KMT2ALMNANAMPTSMN1; SMN2ITGB1
SCHEMBL2294711 0.87 ALDH1A1 (0.47) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL2297005 0.87 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL2291392 0.85 KMT2A (0.51) MEN1KMT2ALMNAALDH1A1GAA
SCHEMBL2295665 0.85 PSEN1 (0.45) MAPTMEN1KMT2AALDH1A1L3MBTL1

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 MAPT 4745/4885NLRP3 3828/4885MEN1 2656/4885

“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.