SCHEMBL3590248

SCHEMBL3590248

CCOC(=O)c1coc(-c2c[nH]c3ccc(Cl)cc23)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
HTR6 P50406 1/20 0.41
MAP3K14 Q99558 1/20 0.41
GAA P10253 1/20 0.41
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
CSF1R P07333 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL3596646 0.76 ALDH1A1 (0.44) ALOX15ALDH1A1HPGDGABRB2MAOB
SCHEMBL25029031 0.76 CYP1A2 (0.44) NR4A2CYP1A2GABRA1GABRB2KDM4E
SCHEMBL29364132 0.76 CYP1A2 (0.44) NR4A2CYP1A2GABRA1GABRB2KDM4E
SCHEMBL4357086 0.76 ALDH1A1 (0.43) ALOX15ALDH1A1HPGDGABRB2MAOB
SCHEMBL4350902 0.75 ALDH1A1 (0.43) ALOX15ALDH1A1HPGDGABRB2MAOB
SCHEMBL20361433 0.75 TARBP2 (0.60) CYP1A2GABRB2MAPT
SCHEMBL5309810 0.74 NR4A2 (0.72) NR4A2F7F3ALDH1A1HPGD
SCHEMBL4357082 0.73 ALDH1A1 (0.41) ALOX15ALDH1A1HPGDGABRB2KDM4E
SCHEMBL3588519 0.73 CNR1 (0.44) ALOX15ALDH1A1HPGDGABRB2KDM4E
SCHEMBL3602199 0.73 PTGDR2 (0.41) ALOX15ALDH1A1HPGDGAAGABRB2

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 11 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
EP-2041127-A2 INDOLE COMPOUNDS Glaxo Group Limited (GB) 2009-04-01 EP disclosed
EP-2041126-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006795-A2 INDOLE COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-01-17 WO disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 WO 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 NR4A2 701/4885F7 3162/4885F3 225/4885
US-20100004240-A1 Indole Compounds IDO1, TPH1, IDO2 NR4A2 3456/4885F7 1269/4885F3 53/4885

“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.