SCHEMBL2296414

SCHEMBL2296414

CCOC(=O)CC(c1ccccc1)n1cnc2cc(NC(=O)Nc3ccccc3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
NPC1 O15118 9/20 0.44
RAB9A P51151 9/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
NR1I2 O75469 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
USP2 O75604 1/20 0.41
NOTUM Q6P988 1/20 0.41
TP53 P04637 1/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 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
SCHEMBL2298641 0.91 NR1I2 (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2293615 0.88 RAB9A (0.45) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2296670 0.87 NR1I2 (0.47) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2296252 0.87 NR1I2 (0.47) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2294150 0.86 NPC1 (0.48) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2294337 0.86 FADS1 (0.43) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2299707 0.85 NPC1 (0.46) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2296285 0.84 NPC1 (0.46) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2299091 0.84 NPC1 (0.44) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL2294085 0.83 MAPT (0.47) MAPTNPC1RAB9ASMN1; 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 MAPT 4745/4885NPC1 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.