SCHEMBL2298685

SCHEMBL2298685

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cccc(I)c3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.48
RAB9A P51151 12/20 0.48
SMN1; SMN2 Q16637 5/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 4/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
ITGA2 P17301 1/20 0.38
ORAI1 Q96D31 1/20 0.38
F2 P00734 1/20 0.38
KDR P35968 1/20 0.37
PRNP P04156 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL2296333 0.93 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2295674 0.91 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2291378 0.89 NPC1 (0.62) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2298695 0.89 RAB9A (0.48) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2292708 0.89 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2294143 0.87 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2296240 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2294356 0.86 NPC1 (0.46) NPC1RAB9ASMN1; SMN2LMNAF2
SCHEMBL2298585 0.86 KCNK3 (0.51) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL2296407 0.85 MEN1 (0.50) NPC1RAB9ALMNAKMT2AMEN1

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.