SCHEMBL2296208

SCHEMBL2296208

O=C(O)C[C@H](c1ccccc1)n1cnc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC8 Q9BY41 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
APAF1 O14727 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ASAH1 Q13510 1/20 0.42
DNMT3A Q9Y6K1 1/20 0.41
GGPS1 O95749 1/20 0.40
FDPS P14324 1/20 0.40
NPC1 O15118 1/20 0.40
MCL1 Q07820 1/20 0.40
ALOX15 P16050 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
SCHEMBL2294495 0.92 HPGD (0.47) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2298664 0.91 HSD17B10 (0.53) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2295302 0.88 MEN1 (0.48) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2298461 0.84 POLB (0.46) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2295849 0.84 FGFR1 (0.47) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL12205423 0.84 MEN1 (0.42) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL5303602 0.84 FGFR1 (0.47) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2300547 0.84 HCAR3 (0.60) HPGDHSD17B10ALDH1A1LMNA
SCHEMBL8853491 0.84 HPGD (0.56) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL12380647 0.83 HSD17B10 (0.50) HPGDHSD17B10MEN1KMT2AHDAC8

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 9 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
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 HPGD 2856/4885HSD17B10 4512/4885MEN1 2656/4885

“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.