SCHEMBL4763435

SCHEMBL4763435

O=C(O)c1cnc(NCCCN2CCOCC2)[nH]c1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.49
▸ POLB P06746 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TYRO3 Q06418 1/20 0.47
▸ MERTK Q12866 1/20 0.47
▸ GAS6 Q14393 1/20 0.47
▸ PIM1 P11309 1/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ UHRF1 Q96T88 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL10322727 0.79 MERTK (0.52) GAATYRO3MERTKGAS6
SCHEMBL27810931 0.72 KMT2A (0.48) POLBSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL6402609 0.72 DRD2 (0.52) SMN1; SMN2
SCHEMBL34462305 0.72 MERTK (0.81) TYRO3MERTKGAS6
SCHEMBL10323705 0.71 DHODH (0.45) —
SCHEMBL4256180 0.71 KDM4E (0.50) GAAPOLBSMN1; SMN2TYRO3MERTK
SCHEMBL13472367 0.68 ABL1 (0.52) GAAPOLBSMN1; SMN2KMT2ARAD52
SCHEMBL28372825 0.68 KDM4E (0.54) GAASMN1; SMN2TYRO3MERTKGAS6
SCHEMBL10324022 0.68 HSP90AA1 (0.42) MEN1KMT2AKDM4E
SCHEMBL13472316 0.67 ALDH1A1 (0.52) MAPK1SMN1; SMN2TYRO3MERTKGAS6

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
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 — — EP claimed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 — — US claimed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 — — US claimed
EP-1309565-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 — — EP claimed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 — — WO claimed
EP-1309565-B1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2008-04-09 — — EP disclosed
US-6878704-B2 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-04-12 — — US disclosed
US-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2004-03-25 — — US 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 GAA 233/4885POLB 150/4885MAPK1 3823/4885

“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.

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