SCHEMBL3978768

SCHEMBL3978768

CCOC(=O)c1cn(CC)c2ncc(C#CCNC(=O)OC(C)(C)C)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 2/20 0.38
PTPN11 Q06124 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 2/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37

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
SCHEMBL3974096 0.84 LMNA (0.56) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3974878 0.81 TSHR (0.41) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5463685 0.80 LMNA (0.40) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5435052 0.77 KDM4E (0.53) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL4179988 0.76 PTPN11 (0.42) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL5442448 0.75 DDB1 (0.42) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL3318354 0.74 LMNA (0.53) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5430748 0.74 DDB1 (0.41) LMNAKDM4EALDH1A1HPGDMEN1
SCHEMBL3815499 0.74 LMNA (0.50) LMNAKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL15671945 0.74 LMNA (0.50) LMNAKDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569550-B2 14 and 15 membered ring compounds GLAXO GROUP LIMITED (GB) 2009-08-04 US disclosed
US-20090062218-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-03-05 US disclosed
US-20070185117-A1 Novel 14 and 15 membrered ring compounds GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
EP-1628988-B1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LTD (GB) 2006-10-04 EP disclosed
EP-1628988-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-03-01 EP disclosed
WO-2004101586-A1 NOVEL 14 AND 15 MEMBERED-RING COMPOUNDS GLAXO GROUP LIMITED (GB) 2004-11-25 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 (2 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-20070185117-A1 Novel 14 and 15 membrered ring compounds CYP51A1, LSS, IL17A LMNA 2615/4885KDM4E 3840/4885ALDH1A1 2827/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 LMNA 1055/4885KDM4E 3897/4885ALDH1A1 4011/4885

“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.