SCHEMBL2294495

SCHEMBL2294495

O=C(O)CC(c1ccc(-c2ccccc2)cc1)n1cnc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC8 Q9BY41 1/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
EGLN3 Q9H6Z9 1/20 0.45
APAF1 O14727 1/20 0.42
FFAR1 O14842 2/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ASAH1 Q13510 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
SCHEMBL2296208 0.92 HPGD (0.55) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2298664 0.88 HSD17B10 (0.53) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2295302 0.86 MEN1 (0.48) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2292280 0.86 POLB (0.45) HSD17B10FFAR1POLBSMN1; SMN2TDP1
SCHEMBL2292402 0.85 KDM4E (0.46) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2299828 0.82 ALDH1A1 (0.49) HPGDMEN1KMT2AALDH1A1POLB
SCHEMBL8853491 0.79 HPGD (0.56) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL2292224 0.79 NR1I2 (0.56) HPGDMEN1KMT2ACYP2D6CYP2C9
SCHEMBL2296016 0.78 NPC1 (0.50) HPGDHSD17B10MEN1KMT2AALDH1A1
SCHEMBL2299394 0.78 F2 (0.44) MEN1KMT2APOLBSMN1; 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 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
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.