SCHEMBL2294561

SCHEMBL2294561

O=C(O)CC(c1ccccc1)n1cnc2cc(NC(=O)c3c4ccccc4cc4ccccc34)ccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.44
NPC1 O15118 13/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
LMNA P02545 1/20 0.44
NR1I2 O75469 3/20 0.42
TP53 P04637 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
KDM4E B2RXH2 1/20 0.36
GFER P55789 1/20 0.36

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
SCHEMBL2298763 0.92 NPC1 (0.37) RAB9ANPC1SMN1; SMN2LMNANR1I2
SCHEMBL2298509 0.88 NR1H4 (0.47) RAB9ANPC1SMN1; SMN2LMNANR1I2
SCHEMBL2295288 0.86 TP53 (0.45) RAB9ANPC1SMN1; SMN2LMNANR1I2
SCHEMBL2295674 0.86 NPC1 (0.56) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2297493 0.86 RAB9A (0.49) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2292725 0.85 RAB9A (0.44) RAB9ANPC1SMN1; SMN2LMNANR1I2
SCHEMBL2295161 0.84 CBLB (0.47) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL2292549 0.83 GRM4 (0.48) RAB9ANPC1SMN1; SMN2LMNAALDH1A1
SCHEMBL5286971 0.83 RAB9A (0.42) RAB9ANPC1SMN1; SMN2LMNANR1I2
SCHEMBL2297333 0.83 ADRA2B (0.49) RAB9ANPC1SMN1; 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 RAB9A 1893/4885NPC1 2770/4885SMN1; 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.