SCHEMBL3539731

SCHEMBL3539731

O=C(c1ccc2[nH]c(C(=O)N3CCC(O)CC3)cc2c1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
HRH4 Q9H3N8 5/20 0.53
SYK P43405 1/20 0.51
PARP1 P09874 3/20 0.49
HRH3 Q9Y5N1 2/20 0.49
HTT P42858 1/20 0.49
AKR1C3 P42330 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL3540762 0.92 L3MBTL3 (0.57) L3MBTL3L3MBTL1HRH4SYKPARP1
SCHEMBL3536251 0.91 HRH4 (0.58) L3MBTL3L3MBTL1HRH4SYKPARP1
SCHEMBL3543515 0.91 HRH4 (0.58) L3MBTL3L3MBTL1HRH4SYKPARP1
SCHEMBL3542447 0.90 CNR2 (0.58) L3MBTL3L3MBTL1HRH4SYKPARP1
SCHEMBL3538112 0.89 L3MBTL3 (0.51) L3MBTL3L3MBTL1HRH4SYKPARP1
SCHEMBL3537694 0.89 HRH3 (0.56) L3MBTL3L3MBTL1HRH4SYKPARP1
SCHEMBL3539512 0.88 HRH3 (0.64) L3MBTL3L3MBTL1HRH4SYKPARP1
SCHEMBL3540768 0.88 PARP1 (0.56) L3MBTL3L3MBTL1HRH4SYKPARP1
SCHEMBL3538988 0.88 L3MBTL1 (0.54) L3MBTL3L3MBTL1HRH4SYKPARP1
SCHEMBL3536473 0.87 HRH4 (0.54) L3MBTL3L3MBTL1HRH4SYKPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723325-B2 5-amido-indole-2-carboxamide derivatives HOFFMAN-LA ROCHE INC. (US) 2010-05-25 US disclosed
US-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES NETTEKOVEN MATTHIAS 2009-10-22 US disclosed
US-7601711-B2 Such as [5-(4-cyclopentyl-piperazine-1-carbonyl)-1H-indol-2-yl]-morpholin-4-yl-methanone; histamine H3-antagonists HOFFMANN-LA ROCHE INC. (US) 2009-10-13 US disclosed
CN-101421235-A 5-amido-2-amide indoles HOFFMANN LA ROCHE (CH) 2009-04-29 CN disclosed
EP-2010487-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. Hoffmann-Roche AG (CH) 2009-01-07 EP disclosed
WO-2007115938-A1 5-AMIDO-2-CARBOXAMIDE INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 WO disclosed
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-10-18 US 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-20090264418-A1 5-AMIDO-INDOLE-2-CARBOXAMIDE DERIVATIVES HRH4, HRH3, CNR2 L3MBTL3 3467/4885L3MBTL1 3202/4885HRH4 1/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 L3MBTL3 3467/4885L3MBTL1 3202/4885HRH4 1/4885

“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.