SCHEMBL3539435

SCHEMBL3539435

CCOC(=O)c1cc2cc(C(=O)N3CCC(N4CCOCC4)CC3)ccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.54
MMP2 P08253 1/20 0.53
MMP13 P45452 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.51
L3MBTL3 Q96JM7 2/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
ATM Q13315 1/20 0.49
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 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
SCHEMBL3537720 0.91 L3MBTL3 (0.58) HRH3MMP2MMP13L3MBTL1L3MBTL3
SCHEMBL3539824 0.90 L3MBTL3 (0.57) HRH3MMP2MMP13L3MBTL1L3MBTL3
SCHEMBL16792606 0.90 HRH3 (0.63) HRH3MMP2MMP13L3MBTL1RAB9A
SCHEMBL3537292 0.87 HRH3 (0.57) HRH3MMP2MMP13L3MBTL1L3MBTL3
SCHEMBL3544444 0.87 HRH3 (0.57) HRH3MMP2MMP13L3MBTL1L3MBTL3
SCHEMBL3541727 0.85 L3MBTL3 (0.58) HRH3L3MBTL1L3MBTL3POLBKMT2A
SCHEMBL3538800 0.82 HRH3 (0.58) HRH3MMP2MMP13L3MBTL1L3MBTL3
SCHEMBL3541462 0.80 HRH3 (0.56) HRH3L3MBTL1L3MBTL3POLBKMT2A
SCHEMBL3543008 0.79 HRH3 (0.56) HRH3MMP2MMP13L3MBTL1L3MBTL3
SCHEMBL3539512 0.78 HRH3 (0.64) HRH3L3MBTL1L3MBTL3POLBSMN1; SMN2

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 2/4885MMP2 4383/4885MMP13 4312/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885MMP2 4383/4885MMP13 4312/4885

“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.