SCHEMBL2292983

SCHEMBL2292983

CCOC(=O)C=C(c1ccc(CC)cc1)n1cnc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ASAH1 Q13510 5/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
RECQL P46063 1/20 0.44
MAPK10 P53779 1/20 0.44
KDM4E B2RXH2 1/20 0.41
FGFR1 P11362 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.40
GAA P10253 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
SCHEMBL2294353 1.00 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL2292975 1.00 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL12380644 0.91 ALDH1A1 (0.47) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL2292007 0.89 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL2292012 0.89 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL2292398 0.86 NPC1 (0.50) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL2292393 0.86 NPC1 (0.50) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL2292401 0.86 NPC1 (0.50) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL12421955 0.80 NPC1 (0.48) ALDH1A1NPC1RAB9AMAPTHPGD
SCHEMBL2297318 0.75 MAPT (0.47) ALDH1A1NPC1RAB9AMAPTHPGD

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 5 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

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 ALDH1A1 1381/4885NPC1 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.