SCHEMBL3539302

SCHEMBL3539302

O=C(c1ccc2c(c1)cc(C(=O)N1CCC(F)(F)CC1)n2-c1ccc(Cl)nc1)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.48
L3MBTL3 Q96JM7 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
EPHX2 P34913 3/20 0.41
HPGD P15428 2/20 0.41
ADRA1A P35348 3/20 0.40
CCR3 P51677 2/20 0.39
PTK2 Q05397 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LRRK2 Q5S007 1/20 0.38

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
SCHEMBL3536760 0.94 L3MBTL3 (0.48) HRH3L3MBTL3L3MBTL1HPGDADRA1A
SCHEMBL3538564 0.93 L3MBTL3 (0.47) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL3537218 0.91 HRH3 (0.50) HRH3L3MBTL3L3MBTL1HPGDADRA1A
SCHEMBL3539890 0.86 HPGD (0.50) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL3540987 0.84 HRH3 (0.55) HRH3KDM4EALDH1A1HPGDADRA1A
SCHEMBL3537803 0.82 L3MBTL3 (0.48) HRH3L3MBTL3L3MBTL1HPGDADRA1A
SCHEMBL3538050 0.82 HRH3 (0.61) HRH3L3MBTL3L3MBTL1
SCHEMBL3540716 0.82 L3MBTL3 (0.47) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL3540408 0.81 HRH3 (0.52) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1
SCHEMBL3540747 0.80 HRH3 (0.55) HRH3L3MBTL3L3MBTL1KDM4EALDH1A1

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 2/4885L3MBTL3 3467/4885L3MBTL1 3202/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885L3MBTL3 3467/4885L3MBTL1 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.