SCHEMBL4176943

SCHEMBL4176943

C=Cn1cc(C(=O)OCC)c(=O)c2cc(CCCNC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
LMNA P02545 1/20 0.40
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
P2RX3 P56373 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
ADRB2 P07550 1/20 0.35
BRD4 O60885 1/20 0.35
MEN1 O00255 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
THRB P10828 1/20 0.34
P2RY14 Q15391 1/20 0.34

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
SCHEMBL4169502 0.88 LMNA (0.42) KMT2ALMNAKDM4EMAPTNPSR1
SCHEMBL3982430 0.87 LMNA (0.56) KMT2ALMNAKDM4EMAPTP2RX3
SCHEMBL4169399 0.86 LMNA (0.41) KMT2ALMNAKDM4EMAPTNPSR1
SCHEMBL5255090 0.84 LMNA (0.46) KMT2ALMNAKDM4EMAPTNPSR1
SCHEMBL5434373 0.84 ADRB2 (0.46) KMT2ALMNAKDM4EMAPTNPSR1
SCHEMBL4173128 0.84 LMNA (0.48) KMT2ALMNAKDM4EMAPTNPSR1
SCHEMBL3296373 0.83 LMNA (0.39) KMT2ALMNAKDM4EMAPTNPSR1
SCHEMBL5437011 0.83 LMNA (0.45) KMT2ALMNAKDM4EMAPTNPSR1
SCHEMBL4392574 0.82 LMNA (0.52) KMT2ALMNAKDM4EMAPTP2RX3
SCHEMBL3291075 0.81 HPGD (0.43) KMT2ALMNAKDM4EMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP disclosed
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 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-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 KMT2A 3931/4885LMNA 1055/4885KDM4E 3897/4885

“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.