SCHEMBL3544898

SCHEMBL3544898

CC(C)n1c(C(=O)N2CCOCC2)cc2cc(C(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)ccc21

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
HRH3 Q9Y5N1 5/20 0.46
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
B3GNT2 Q9NY97 1/20 0.43
CNR2 P34972 1/20 0.42
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
HDAC4 P56524 1/20 0.41
BTK Q06187 1/20 0.41
CHRNA7 P36544 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
CYP2D6 P10635 1/20 0.40

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
SCHEMBL3169780 0.89 KMT2A (0.50) KMT2AMEN1HRH3SMN1; SMN2CNR2
SCHEMBL3160789 0.89 KMT2A (0.50) KMT2AMEN1SMN1; SMN2CNR2
SCHEMBL3174857 0.89 KMT2A (0.54) KMT2AMEN1HRH3SMN1; SMN2CNR2
SCHEMBL3541817 0.88 HRH3 (0.53) KMT2AMEN1HRH3CNR2HDAC4
SCHEMBL3546171 0.88 KMT2A (0.49) KMT2AMEN1HRH3SMN1; SMN2CNR2
SCHEMBL3160554 0.87 KMT2A (0.48) KMT2AMEN1HRH3CNR2HDAC4
SCHEMBL3539403 0.85 CHRNA7 (0.56) KMT2AHRH3HSP90AA1HSP90AB1CHRNA7
SCHEMBL3170227 0.84 MEN1 (0.49) KMT2AMEN1SMN1; SMN2CNR2ABL1
SCHEMBL3541052 0.80 HRH3 (0.64) KMT2AHRH3CNR2HSP90AA1HSP90AB1
SCHEMBL3160773 0.77 CHRNA7 (0.48) KMT2AMEN1HRH3SMN1; SMN2CHRNA7

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.