SCHEMBL2296917

SCHEMBL2296917

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccc(F)c4ccccc34)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
KMT2A Q03164 5/20 0.37
CXCR5 P32302 1/20 0.36
RAB9A P51151 5/20 0.36
NPC1 O15118 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 5/20 0.35
MEN1 O00255 3/20 0.35
CHRM2 P08172 1/20 0.35
TP53 P04637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
FADS1 O60427 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL2297649 0.93 NPC1 (0.42) SMN1; SMN2KMT2ACXCR5RAB9ANPC1
SCHEMBL2295379 0.87 NR1H4 (0.47) KMT2ARAB9ANPC1MAPTMEN1
SCHEMBL2295598 0.84 MEN1 (0.43) SMN1; SMN2KMT2ARAB9ANPC1LMNA
SCHEMBL2294478 0.83 NPC1 (0.48) SMN1; SMN2KMT2ARAB9ANPC1LMNA
SCHEMBL2298688 0.83 NPC1 (0.48) SMN1; SMN2KMT2ARAB9ANPC1MAPT
SCHEMBL2294479 0.83 FADS1 (0.46) SMN1; SMN2RAB9ANPC1LMNAKDM4E
SCHEMBL2297504 0.83 FFAR1 (0.48) SMN1; SMN2KMT2ARAB9ANPC1MAPT
SCHEMBL2294585 0.83 HTR2C (0.45) KMT2AMEN1
SCHEMBL2292686 0.82 NPC1 (0.37) SMN1; SMN2KMT2ARAB9ANPC1LMNA
SCHEMBL2298763 0.82 NPC1 (0.37) SMN1; SMN2KMT2ARAB9ANPC1LMNA

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 SMN1; SMN2 2159/4885KMT2A 3680/4885CXCR5 69/4885

“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.