SCHEMBL2295161

SCHEMBL2295161

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3cc4ccccc4cn3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 11/20 0.47
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
EGLN1 Q9GZT9 1/20 0.41
EGFR P00533 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP3K5 Q99683 1/20 0.39

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
SCHEMBL2297443 0.93 CBLB (0.47) CBLBNPC1RAB9ASMN1; SMN2EGLN1
SCHEMBL2297493 0.87 RAB9A (0.49) CBLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2297613 0.87 SMN1; SMN2 (0.51) CBLBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2292549 0.86 GRM4 (0.48) NPC1RAB9ASMN1; SMN2LMNAUSP2
SCHEMBL5302872 0.86 RAB9A (0.47) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2295024 0.86 RAB9A (0.52) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2295674 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2294561 0.84 RAB9A (0.44) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2298509 0.83 NR1H4 (0.47) NPC1RAB9ASMN1; SMN2LMNAMEN1
SCHEMBL2296670 0.82 NR1I2 (0.47) NPC1RAB9ASMN1; SMN2LMNAEGFR

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 CBLB 4122/4885NPC1 2770/4885RAB9A 1893/4885

“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.