SCHEMBL3979515

SCHEMBL3979515

CCOC(=O)c1cn(CC)c2ncc(I)cc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 3/20 0.48
HTT P42858 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TSHR P16473 3/20 0.47
MAPK1 P28482 2/20 0.47
POLB P06746 2/20 0.47
HSD17B10 Q99714 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
MAPT P10636 2/20 0.45
CYP1A2 P05177 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
SCHEMBL3318354 0.87 LMNA (0.53) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3696586 0.86 LMNA (0.64) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL5468538 0.86 ALDH1A1 (0.53) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL20521839 0.84 LMNA (0.50) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL15671912 0.84 LMNA (0.50) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL15671945 0.84 LMNA (0.50) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL29705211 0.84 LMNA (0.50) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL3701745 0.83 HPGD (0.42) LMNAALDH1A1KDM4EHPGDKMT2A
SCHEMBL3318976 0.82 POLB (0.56) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL8195146 0.82 RXFP1 (0.47) LMNAALDH1A1KDM4ESMN1; SMN2HPGD

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
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
EP-1824871-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-08-29 EP 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
WO-2006050940-A1 MACROLONE COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-05-18 WO 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 2615/4885ALDH1A1 2827/4885KDM4E 3840/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 LMNA 1055/4885ALDH1A1 4011/4885KDM4E 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.