SCHEMBL3539360

SCHEMBL3539360

O=C(c1ccc2c(c1)cc(C(=O)N1CCS(=O)(=O)CC1)n2-c1cccc(Cl)c1)N1CCN(C2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HRH3 Q9Y5N1 3/20 0.51
KCNH2 Q12809 1/20 0.47
HPGD P15428 7/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
KDM2B Q8NHM5 1/20 0.42
CHRM1 P11229 1/20 0.41

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
SCHEMBL3539331 0.98 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1HRH3KCNH2
SCHEMBL28779785 0.93 L3MBTL1 (0.52) L3MBTL1KDM4EALDH1A1HRH3KCNH2
SCHEMBL28775838 0.91 L3MBTL1 (0.55) L3MBTL1KDM4EALDH1A1HRH3KCNH2
SCHEMBL3538813 0.90 HRH3 (0.52) L3MBTL1KDM4EALDH1A1HRH3KCNH2
SCHEMBL3545201 0.90 HRH3 (0.50) L3MBTL1KDM4EALDH1A1HRH3HPGD
SCHEMBL3541015 0.89 HRH3 (0.50) L3MBTL1KDM4EALDH1A1HRH3KCNH2
SCHEMBL3539675 0.89 HRH3 (0.48) L3MBTL1KDM4EALDH1A1HRH3HPGD
SCHEMBL3534612 0.89 HTT (0.54) L3MBTL1KDM4EALDH1A1HRH3KCNH2
SCHEMBL3539404 0.88 HRH3 (0.49) L3MBTL1KDM4EALDH1A1HRH3KCNH2
SCHEMBL3540401 0.88 HRH3 (0.54) ALDH1A1HRH3HPGDMEN1KMT2A

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-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
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 L3MBTL1 3202/4885KDM4E 1682/4885ALDH1A1 864/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 L3MBTL1 3202/4885KDM4E 1682/4885ALDH1A1 864/4885

“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.