SCHEMBL2300786

SCHEMBL2300786

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.45
NPC1 O15118 8/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 2/20 0.42
NR1I2 O75469 3/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 2/20 0.39
GFER P55789 1/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ROCK2 O75116 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOTUM Q6P988 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL2294191 0.92 NPC1 (0.38) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2296379 0.90 NPC1 (0.46) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2296252 0.87 NR1I2 (0.47) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2296670 0.87 NR1I2 (0.47) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2295674 0.86 NPC1 (0.56) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2291392 0.84 KMT2A (0.51) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2294542 0.84 MAPT (0.51) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL5302753 0.84 GFER (0.42) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL2299633 0.83 HTR1E (0.53) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL5299923 0.83 NR1I2 (0.44) RAB9ANPC1SMN1; SMN2LMNAKMT2A

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.