SCHEMBL4769816

SCHEMBL4769816

Nn1cc(C(=O)O)c(=O)c2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
KDM4E B2RXH2 1/20 0.55
CHRM1 P11229 5/20 0.52
ALDH1A1 P00352 1/20 0.45
P2RX4 Q99571 1/20 0.45

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
SCHEMBL28227903 0.83 LMNA (0.63) LMNAKDM4ECHRM1ALDH1A1P2RX4
SCHEMBL6313804 0.82 LMNA (0.62) LMNAKDM4ECHRM1ALDH1A1P2RX4
SCHEMBL19668173 0.80 LMNA (0.56) LMNAKDM4ECHRM1ALDH1A1
SCHEMBL30747701 0.79 LMNA (0.59) LMNAKDM4ECHRM1ALDH1A1P2RX4
SCHEMBL398161 0.79 POLB (0.61) LMNAKDM4EALDH1A1
SCHEMBL28274592 0.79 LMNA (0.59) LMNAKDM4ECHRM1ALDH1A1P2RX4
SCHEMBL30421484 0.79 POLB (0.61) LMNAKDM4EALDH1A1
SCHEMBL7545236 0.79 LMNA (0.59) LMNAKDM4ECHRM1ALDH1A1P2RX4
SCHEMBL10665262 0.79 KDM4E (0.42) LMNAKDM4EALDH1A1
SCHEMBL30309433 0.78 KDM4E (0.61) LMNAKDM4ECHRM1

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 LMNA 2120/4885KDM4E 4142/4885CHRM1 4451/4885

“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.