SCHEMBL3538196

SCHEMBL3538196

COc1cccc(-n2c(C(=O)N3CCC(F)(F)CC3)cc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.48
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 1/20 0.45
SLC6A4 P31645 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
F10 P00742 1/20 0.42
CYP2D6 P10635 1/20 0.42
HSD11B1 P28845 1/20 0.42

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
SCHEMBL3540466 0.92 HRH3 (0.51) HRH3KDM4EALDH1A1LMNAPKM
SCHEMBL3539671 0.90 HRH3 (0.49) HRH3KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL3542678 0.89 L3MBTL1 (0.54) HRH3KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL3541059 0.89 HTT (0.54) HRH3KDM4EALDH1A1TSHRL3MBTL1
SCHEMBL3535868 0.87 HPGD (0.52) HRH3KDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL3537598 0.87 HRH3 (0.52) HRH3ALDH1A1LMNAKMT2AHTT
SCHEMBL3539583 0.86 HRH3 (0.47) HRH3KDM4EALDH1A1LMNAL3MBTL1
SCHEMBL3541448 0.86 HRH3 (0.49) HRH3KDM4EALDH1A1PKML3MBTL1
SCHEMBL3539416 0.86 HRH3 (0.47) HRH3KDM4EALDH1A1L3MBTL1SLC6A4
SCHEMBL3538363 0.85 HRH3 (0.51) HRH3KDM4EALDH1A1L3MBTL1HTT

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