SCHEMBL3538545

SCHEMBL3538545

O=C(O)c1ccc2c(c1)cc(C(=O)N1CCOCC1)n2CC(F)(F)F

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.71
KMT2A Q03164 1/20 0.42
MLYCD O95822 1/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 2/20 0.40
PTGS2 P35354 2/20 0.40
PTGS1 P23219 1/20 0.40
HDAC4 P56524 1/20 0.39
HTT P42858 1/20 0.39
PHGDH O43175 1/20 0.39

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
SCHEMBL2768671 0.86 HRH3 (0.64) HRH3KMT2AMLYCDPKMHPGD
SCHEMBL3538456 0.86 HRH3 (0.64) HRH3KMT2A
SCHEMBL3539771 0.85 HRH3 (0.63) HRH3KMT2AHPGDPTGS2PTGS1
SCHEMBL3539379 0.85 HRH3 (0.71) HRH3KMT2A
SCHEMBL3538056 0.83 HRH3 (0.96) HRH3
SCHEMBL3542210 0.83 HRH3 (1.00) HRH3
SCHEMBL3544224 0.82 HRH3 (0.95) HRH3HTT
SCHEMBL3539650 0.80 HRH3 (0.87) HRH3
SCHEMBL3539647 0.80 HRH3 (0.69) HRH3KMT2AMLYCDPKMHPGD
SCHEMBL3544583 0.78 HRH3 (0.75) HRH3KMT2A

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 512/4885MLYCD 3258/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885KMT2A 512/4885MLYCD 3258/4885

“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.