SCHEMBL3590472

SCHEMBL3590472

O=C(O)c1coc(-c2cn(C3CCCC3)c3ccc(Cl)cc23)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ENPP2 Q13822 2/20 0.39
KCNH2 Q12809 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 1/20 0.36
XDH P47989 2/20 0.35
IDO1 P14902 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
PIK3CD O00329 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CG P48736 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL3592525 0.86 SMN1; SMN2 (0.42) KDM4EKCNH2HSD17B10GAA
SCHEMBL3602199 0.86 PTGDR2 (0.41) KDM4EHSD17B10GAAPTGDR2
SCHEMBL3587029 0.83 CNR1 (0.40) KCNH2SCN5ASCN9A
SCHEMBL4357106 0.82 CNR1 (0.47) XDH
SCHEMBL3591440 0.80 CNR1 (0.46) XDH
SCHEMBL3587027 0.80 KCNH2 (0.38) KCNH2XDH
SCHEMBL4362553 0.78 PTGDR2 (0.39) HDAC1HDAC8HDAC6PTGDR2
SCHEMBL3595139 0.75 PTGER1 (0.41) XDHPTGDR2
SCHEMBL4354611 0.74 PTGDR2 (0.38) HDAC1HDAC8HDAC6PTGDR2
SCHEMBL4354618 0.73 KDM4E (0.36) KDM4EHSD17B10HDAC1HDAC8HDAC6

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-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20100004240-A1 Indole Compounds GLAXO GROUP LIMITED (GB) 2010-01-07 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 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-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor PTGER1, PTGER2, PTGER3 KDM4E 2597/4885ENPP2 568/4885KCNH2 2031/4885
US-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 KDM4E 1622/4885ENPP2 3446/4885KCNH2 1592/4885

“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.