SCHEMBL2296252

SCHEMBL2296252

O=C(O)C[C@H](c1ccccc1)n1cnc2cc(NC(=O)Nc3ccccc3)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.47
RAB9A P51151 11/20 0.47
NPC1 O15118 10/20 0.47
SMN1; SMN2 Q16637 6/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 3/20 0.43
RECQL P46063 1/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EGFR P00533 1/20 0.41
AURKA O14965 1/20 0.41
KDR P35968 1/20 0.41
AURKB Q96GD4 1/20 0.41
GFER P55789 1/20 0.40

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
SCHEMBL2296670 1.00 NR1I2 (0.47) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5299923 0.94 NR1I2 (0.44) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2292264 0.91 NPC1 (0.44) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5301184 0.91 RAB9A (0.44) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5301051 0.91 AURKA (0.47) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5300999 0.91 SMN1; SMN2 (0.50) RAB9ANPC1SMN1; SMN2LMNAKMT2A
SCHEMBL5298326 0.91 RAB9A (0.47) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5295207 0.90 FNTA (0.45) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL5283577 0.90 NR1I2 (0.49) NR1I2RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL2298641 0.89 NR1I2 (0.44) NR1I2RAB9ANPC1SMN1; SMN2LMNA

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 6 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 disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed

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 NR1I2 1911/4885RAB9A 1893/4885NPC1 2770/4885

“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.