SCHEMBL4765776

SCHEMBL4765776

COC(=O)c1cn(-c2cccc([N+](=O)[O-])c2)[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4D Q08499 2/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
HPN P05981 1/20 0.43
SLC6A4 P31645 1/20 0.42
ABHD16A O95870 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42

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
SCHEMBL10923940 0.87 PDE4B (0.53) ALDH1A1MEN1KMT2APDE4BPDE4D
SCHEMBL4768036 0.85 HPN (0.47) ALDH1A1MEN1KMT2AHPNMAPT
SCHEMBL14221817 0.78 MAPT (0.53) ALDH1A1MEN1KMT2AHPNMAPT
SCHEMBL10998352 0.72 MAPT (0.54) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL1879440 0.70 MEN1 (0.51) ALDH1A1MEN1KMT2APDE4BPDE4D
SCHEMBL10999707 0.69 TDP1 (0.45) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL31103641 0.69 MEN1 (0.76) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL1572442 0.69 MEN1 (0.76) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL6433721 0.68 SLC6A4 (0.57) ALDH1A1MEN1KMT2ASLC6A4MAPT
SCHEMBL27858189 0.68 MEN1 (0.74) ALDH1A1MEN1KMT2AMAPTPOLB

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
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
EP-1309565-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002012199-A1 HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-14 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-20040058937-A1 Heterocyclic mutilin esters and their use as antibacterials MLN, MSH2, MRPL21 ALDH1A1 852/4885MEN1 175/4885KMT2A 3991/4885

“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.