Sugi Predict

Sugi Predict / Compounds / SCHEMBL5456141

SCHEMBL5456141

SCHEMBL5456141

CCCCCCOC(=O)c1ccc2c(=O)c3c(O)cc(N4CCOCC4)cc3[nH]c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ESR1 P03372 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ AKR1C1 Q04828 1/20 0.40
▸ CCNB2 O95067 3/20 0.40
▸ CDK1 P06493 3/20 0.40
▸ CCNB1 P14635 3/20 0.40
▸ MDH2 P40926 3/20 0.40
▸ CCNB3 Q8WWL7 3/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL5452484 0.87 SIRT2 (0.43) SIRT2SIRT1KDM4EGAAPKM
SCHEMBL5459622 0.74 PRKDC (0.45) PKMMAPTAKR1C3PRKDC
SCHEMBL5440644 0.73 PRKDC (0.55) KDM4EGAASMN1; SMN2MAPTHSD17B10
SCHEMBL6678636 0.72 SMN1; SMN2 (0.67) KDM4EGAAPKMSMN1; SMN2NPC1
SCHEMBL6532326 0.68 GPR84 (0.56) KDM4EGAASMN1; SMN2NPC1MAPT
SCHEMBL14349305 0.65 KDM4E (0.60) KDM4ESMN1; SMN2NPC1MAPTRAB9A
SCHEMBL1041010 0.65 ESR1 (0.72) SMN1; SMN2NPC1MAPTRAB9AESR1
SCHEMBL1038049 0.65 ESR1 (0.72) SMN1; SMN2NPC1MAPTRAB9AESR1
SCHEMBL11131748 0.65 ESR1 (0.72) SMN1; SMN2NPC1MAPTRAB9AESR1
SCHEMBL1042180 0.65 ESR1 (0.72) SMN1; SMN2NPC1MAPTRAB9AESR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 — — US disclosed
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 — — US disclosed
US-8404681-B2 Xanthones, thioxanthones and acridinones as DNA-PK inhibitors LUITPOLD PHARMACEUTICALS, INC. (US) 2013-03-26 — — US disclosed
US-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors LUITPOLD PHARMACEUTICALS, INC. 2007-07-19 — — US disclosed
US-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors LUITPOLD PHARMACEUTICALS, INC. 2007-07-19 — — US disclosed
US-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors LUITPOLD PHARMACEUTICALS, INC. 2007-07-19 — — US disclosed
EP-1660473-A2 XANTHONES, THIOXANTHONES AND ACRIDINONES AS DNA-PK INHIBITORS Luitpold Pharmaceuticals, Inc. (US) 2006-05-31 — — EP disclosed
WO-2004085418-A2 XANTHONES, THIOXANTHONES AND ACRIDINONES AS DNA-PK INHIBITORS LUITPOLD PHARMACEUTICALS, INC. (US) 2004-10-07 — — 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-20070167441-A1 Xanthones, thioxanthones and acridinones as dna-pk inhibitors DCK, DTYMK, XPA SIRT2 4098/4885SIRT1 3826/4885KDM4E 1348/4885

“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.