SCHEMBL3540401

SCHEMBL3540401

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.54
KMT2A Q03164 3/20 0.46
MGLL Q99685 1/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 3/20 0.43
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PLA2G10 O15496 1/20 0.42
LMNA P02545 1/20 0.41
TNF P01375 1/20 0.41
HTT P42858 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
SCHEMBL3540974 0.98 HRH3 (0.52) HRH3KMT2AMGLLHPGDALDH1A1
SCHEMBL27760292 0.93 HRH3 (0.54) HRH3KMT2AMGLLHPGDALDH1A1
SCHEMBL27739852 0.92 HRH3 (0.52) HRH3KMT2AMGLLHPGDALDH1A1
SCHEMBL3543723 0.89 HRH3 (0.54) HRH3KMT2AMGLLHPGDALDH1A1
SCHEMBL3538813 0.89 HRH3 (0.52) HRH3MGLLHPGDALDH1A1SMN1; SMN2
SCHEMBL3537518 0.89 HRH3 (0.53) HRH3KMT2AMGLLMEN1HTT
SCHEMBL3535856 0.88 HRH3 (0.54) HRH3KMT2AMGLLHPGDALDH1A1
SCHEMBL3539360 0.88 L3MBTL1 (0.52) HRH3KMT2AHPGDALDH1A1MEN1
SCHEMBL3534612 0.87 HTT (0.54) HRH3MGLLALDH1A1POLBSMN1; SMN2
SCHEMBL3545201 0.87 HRH3 (0.50) HRH3KMT2AHPGDALDH1A1MEN1

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 2/4885KMT2A 512/4885MGLL 3528/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885KMT2A 512/4885MGLL 3528/4885

“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.