SCHEMBL3535868

SCHEMBL3535868

O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1cccc(Cl)c1)N1CCN(C2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
HRH3 Q9Y5N1 6/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KCNH2 Q12809 1/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL3 Q96JM7 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
SCHEMBL3542678 0.98 L3MBTL1 (0.54) HPGDHRH3L3MBTL1KDM4EALDH1A1
SCHEMBL3537002 0.94 HPGD (0.51) HPGDHRH3L3MBTL1KDM4EALDH1A1
SCHEMBL3537097 0.93 HPGD (0.51) HPGDHRH3L3MBTL1KDM4EALDH1A1
SCHEMBL3536426 0.91 HRH3 (0.54) HPGDHRH3L3MBTL1KDM4EALDH1A1
SCHEMBL3539890 0.91 HPGD (0.50) HPGDHRH3L3MBTL1KDM4EALDH1A1
SCHEMBL3541059 0.90 HTT (0.54) HPGDHRH3L3MBTL1KDM4EALDH1A1
SCHEMBL3539595 0.89 HRH3 (0.51) HPGDHRH3L3MBTL1KDM4EALDH1A1
SCHEMBL3535856 0.89 HRH3 (0.54) HPGDHRH3ALDH1A1MEN1KMT2A
SCHEMBL3539671 0.89 HRH3 (0.49) HPGDHRH3L3MBTL1KDM4EALDH1A1
SCHEMBL3540422 0.88 HRH3 (0.49) HPGDHRH3L3MBTL1KDM4EALDH1A1

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 HPGD 810/4885HRH3 2/4885L3MBTL1 3202/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HPGD 810/4885HRH3 2/4885L3MBTL1 3202/4885

“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.