SCHEMBL2295674

SCHEMBL2295674

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3ccccc3)ccc21

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 15/20 0.56
RAB9A P51151 15/20 0.56
SMN1; SMN2 Q16637 7/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 6/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
PABPC1 P11940 1/20 0.43
MAPK1 P28482 2/20 0.42
USP2 O75604 1/20 0.42
PRNP P04156 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2294143 0.96 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2296016 0.94 NPC1 (0.50) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2292746 0.94 RAB9A (0.50) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2299737 0.93 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2296039 0.93 NPC1 (0.52) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2296419 0.93 NPC1 (0.49) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2294968 0.93 NPC1 (0.59) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2294478 0.91 NPC1 (0.48) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2300667 0.91 RAB9A (0.51) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL2292563 0.91 RAB9A (0.50) 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 2 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
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US 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.