SCHEMBL2298688

SCHEMBL2298688

O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)c3ccccc3Br)cc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.48
RAB9A P51151 5/20 0.48
F2R P25116 7/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPY2R P49146 1/20 0.40
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
LCK P06239 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
SCHEMBL2296307 0.92 NPC1 (0.46) NPC1RAB9AF2RKMT2AMEN1
SCHEMBL2295598 0.89 MEN1 (0.43) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2294479 0.88 FADS1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL2297504 0.88 FFAR1 (0.48) NPC1RAB9AF2RKMT2AMEN1
SCHEMBL2297563 0.88 NPC1 (0.43) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2292686 0.87 NPC1 (0.37) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL2297513 0.87 PLAU (0.41) NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2294478 0.87 NPC1 (0.48) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL2295379 0.87 NR1H4 (0.47) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL2297005 0.86 MAPT (0.49) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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 NPC1 2770/4885RAB9A 1893/4885F2R 290/4885

“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.