SCHEMBL2298763

SCHEMBL2298763

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3c4ccccc4cc4ccccc34)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 1/20 0.37
PABPC1 P11940 1/20 0.36
NOTUM Q6P988 2/20 0.36
NR1I2 O75469 1/20 0.36
ALOX15 P16050 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGAV P06756 1/20 0.35
MCL1 Q07820 1/20 0.35
MAPT P10636 2/20 0.34
MEN1 O00255 2/20 0.34
TP53 P04637 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ACSS2 Q9NR19 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
SCHEMBL2294561 0.92 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNANR1I2
SCHEMBL2295379 0.88 NR1H4 (0.47) NPC1RAB9ANR1I2MAPTMEN1
SCHEMBL2297991 0.86 TP53 (0.45) NPC1RAB9ASMN1; SMN2LMNAPABPC1
SCHEMBL2294478 0.86 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNAPABPC1
SCHEMBL2299761 0.86 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL2291245 0.85 RAB9A (0.38) NPC1RAB9ASMN1; SMN2LMNANOTUM
SCHEMBL2297443 0.84 CBLB (0.47) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL2299723 0.83 GRM4 (0.48) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL5284873 0.83 GAA (0.37) NPC1RAB9ASMN1; SMN2LMNANOTUM
SCHEMBL2294395 0.83 MAPT (0.46) RAB9ASMN1; SMN2LMNANOTUMITGB3

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 NPC1 2770/4885RAB9A 1893/4885SMN1; SMN2 2159/4885

“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.