SCHEMBL2295598

SCHEMBL2295598

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccccc3O)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
LMNA P02545 6/20 0.42
HTT P42858 4/20 0.42
TP53 P04637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 5/20 0.41
PNLIP P16233 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
FADS1 O60427 1/20 0.40
P2RX1 P51575 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39

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
SCHEMBL2295353 0.92 RAB9A (0.45) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL2296479 0.91 NPC1 (0.39) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL2297569 0.90 TMPRSS4 (0.49) P2RX1
SCHEMBL2294746 0.90 PLG (0.43) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL2297513 0.90 PLAU (0.41) RAB9ANPC1LMNAALOX15SMN1; SMN2
SCHEMBL2294479 0.89 FADS1 (0.46) RAB9ANPC1LMNAKDM4ESMN1; SMN2
SCHEMBL2298688 0.89 NPC1 (0.48) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL2297504 0.89 FFAR1 (0.48) MEN1KMT2ARAB9ANPC1TP53
SCHEMBL2295055 0.89 KDR (0.47) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL2292686 0.88 NPC1 (0.37) MEN1KMT2ARAB9ANPC1LMNA

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 MEN1 2656/4885KMT2A 3680/4885RAB9A 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.