SCHEMBL4176913

SCHEMBL4176913

CCOC(=O)c1cn(CC)c2cc(OCCN)ccc2c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
POLB P06746 2/20 0.51
ALDH1A1 P00352 6/20 0.50
HPGD P15428 5/20 0.50
KDM4E B2RXH2 5/20 0.50
HSD17B10 Q99714 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
P2RX3 P56373 1/20 0.46
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.45
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CNR1 P21554 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
SCHEMBL5680266 0.88 KDM4E (0.59) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL4179852 0.87 KDM4E (0.58) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL4179844 0.87 KDM4E (0.58) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL4903266 0.86 LMNA (0.53) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL4179848 0.86 KDM4E (0.48) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL4903177 0.85 LMNA (0.53) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL4181154 0.83 TSHR (0.57) LMNAPOLBALDH1A1TDP1KMT2A
SCHEMBL4906790 0.82 KDM4E (0.55) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL11526372 0.82 LMNA (0.63) LMNAPOLBALDH1A1HPGDKDM4E
SCHEMBL4186480 0.81 ALDH1A1 (0.49) LMNAPOLBALDH1A1HPGDKDM4E

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 4 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
US-20070213283-A1 Macrolides substituted at the 4\"-position GLAXO GROUP LIMITED (GB) 2007-09-13 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 (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-20070213283-A1 Macrolides substituted at the 4\"-position IL4, CYP51A1, IL17A LMNA 2144/4885POLB 2175/4885ALDH1A1 2288/4885
US-20090062218-A1 MACROLONE COMPOUNDS CYP51A1, MRPL21, MYD88 LMNA 1055/4885POLB 1357/4885ALDH1A1 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.