SCHEMBL3539385

SCHEMBL3539385

CC(C)(C)OC(=O)N1CCCN(C(=O)c2ccc3[nH]c(C(=O)N4CCC(F)(F)CC4)cc3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
HRH3 Q9Y5N1 3/20 0.51
HRH4 Q9H3N8 9/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GPR183 P32249 3/20 0.46

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
SCHEMBL3166069 0.89 KMT2A (0.53) KMT2AMEN1HRH3HRH4NPC1
SCHEMBL3169524 0.87 KMT2A (0.66) KMT2AMEN1HRH3HRH4NPC1
SCHEMBL3541555 0.87 HRH3 (0.53) KMT2AMEN1HRH3HRH4NPC1
SCHEMBL3166185 0.86 KMT2A (0.57) KMT2AMEN1HRH3HRH4NPC1
SCHEMBL3539968 0.86 HRH4 (0.53) KMT2AMEN1HRH3HRH4NPC1
SCHEMBL3170208 0.85 KMT2A (0.51) KMT2AMEN1HRH3HRH4NPC1
SCHEMBL3536018 0.83 HRH3 (0.63) HRH3HRH4NPC1RAB9AGPR183
SCHEMBL4824070 0.83 HRH4 (0.66) KMT2AMEN1HRH3HRH4NPC1
SCHEMBL3170610 0.82 KMT2A (0.56) KMT2AMEN1HRH3HRH4NPC1
SCHEMBL1397970 0.81 HRH3 (0.74) KMT2AMEN1HRH3HRH4

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 KMT2A 512/4885MEN1 1757/4885HRH3 2/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 KMT2A 512/4885MEN1 1757/4885HRH3 2/4885

“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.