SCHEMBL3540408

SCHEMBL3540408

O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1cccc(C(F)(F)F)c1)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
PLA2G10 O15496 1/20 0.40
HSD11B1 P28845 2/20 0.40
EPHX2 P34913 2/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.40
ELANE P08246 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
SCHEMBL3542180 0.94 L3MBTL3 (0.48) HRH3ALDH1A1L3MBTL3L3MBTL1KMT2A
SCHEMBL3536511 0.93 L3MBTL3 (0.47) HRH3ALDH1A1KDM4EL3MBTL3L3MBTL1
SCHEMBL3535856 0.91 HRH3 (0.54) HRH3ALDH1A1KMT2AHPGDPLA2G10
SCHEMBL3537598 0.91 HRH3 (0.52) HRH3ALDH1A1KMT2AHPGDPLA2G10
SCHEMBL3539890 0.90 HPGD (0.50) HRH3ALDH1A1KDM4EL3MBTL3L3MBTL1
SCHEMBL3537669 0.86 HRH3 (0.44) HRH3ALDH1A1L3MBTL3KMT2AHPGD
SCHEMBL3541263 0.84 PDK2 (0.46) HRH3ALDH1A1L3MBTL3KMT2AHPGD
SCHEMBL3537002 0.83 HPGD (0.51) HRH3ALDH1A1KDM4EL3MBTL3L3MBTL1
SCHEMBL3539043 0.83 HRH3 (0.51) HRH3ALDH1A1L3MBTL1KMT2AHPGD
SCHEMBL3537097 0.82 HPGD (0.51) HRH3ALDH1A1KDM4EL3MBTL3L3MBTL1

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

“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.