SCHEMBL2295353

SCHEMBL2295353

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccccc3O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.45
NPC1 O15118 7/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 3/20 0.44
GFER P55789 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
TP53 P04637 3/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 3/20 0.41
PNLIP P16233 2/20 0.41
KDM4C Q9H3R0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
FADS1 O60427 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
SCHEMBL2297522 0.92 RAB9A (0.44) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL2295598 0.92 MEN1 (0.43) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL2296222 0.91 RAB9A (0.42) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL2296510 0.91 TMPRSS4 (0.50) RAB9ANPC1LMNASMN1; SMN2TP53
SCHEMBL2295816 0.90 RAB9A (0.45) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL2297464 0.90 RAB9A (0.44) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL5292979 0.89 RAB9A (0.43) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL2296926 0.89 KMT2A (0.49) RAB9ANPC1LMNASMN1; SMN2KDM4E
SCHEMBL2295817 0.89 FADS1 (0.46) RAB9ANPC1LMNASMN1; SMN2KMT2A
SCHEMBL2296307 0.89 NPC1 (0.46) RAB9ANPC1LMNASMN1; SMN2KDM4E

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 RAB9A 1893/4885NPC1 2770/4885LMNA 1740/4885

“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.