SCHEMBL2298719

SCHEMBL2298719

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3c(F)cccc3I)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 13/20 0.41
RAB9A P51151 13/20 0.41
SMN1; SMN2 Q16637 8/20 0.41
LMNA P02545 1/20 0.41
TLR8 Q9NR97 1/20 0.39
TP53 P04637 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DYRK3 O43781 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
NTRK1 P04629 1/20 0.37
PRKCG P05129 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37

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
SCHEMBL2297477 0.94 TLR8 (0.39) NPC1RAB9ASMN1; SMN2LMNATLR8
SCHEMBL5286971 0.84 RAB9A (0.42) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL12421968 0.83 TLR8 (0.38) NPC1RAB9ASMN1; SMN2LMNATLR8
SCHEMBL2295674 0.83 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2298685 0.83 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2292725 0.82 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2297333 0.82 ADRA2B (0.49) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2294561 0.81 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2297649 0.81 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL5299923 0.80 NR1I2 (0.44) NPC1RAB9ASMN1; SMN2LMNATP53

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.