SCHEMBL3544444

SCHEMBL3544444

CCOC(=O)c1cc2cc(C(=O)N3CCN(C4CCC4)CC3)ccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.57
MMP13 P45452 4/20 0.56
MMP2 P08253 3/20 0.56
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
RAB9A P51151 5/20 0.52
ALDH1A1 P00352 5/20 0.52
HPGD P15428 4/20 0.52
KDM4E B2RXH2 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 3/20 0.51
POLB P06746 2/20 0.51
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
GAA P10253 2/20 0.47
HRH4 Q9H3N8 1/20 0.47
L3MBTL3 Q96JM7 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
SCHEMBL3537292 0.98 HRH3 (0.57) HRH3MMP13MMP2KMT2AMEN1
SCHEMBL3537720 0.92 L3MBTL3 (0.58) HRH3MMP13MMP2KMT2AMEN1
SCHEMBL3539824 0.91 L3MBTL3 (0.57) HRH3MMP13MMP2KMT2AMEN1
SCHEMBL3166985 0.89 KMT2A (0.62) HRH3KMT2AMEN1RAB9AALDH1A1
SCHEMBL3539435 0.87 HRH3 (0.54) HRH3MMP13MMP2KMT2AMEN1
SCHEMBL3536699 0.84 L3MBTL1 (0.53) HRH3ALDH1A1KDM4EPOLBL3MBTL1
Hydrochloric Acid SCHEMBL3539413 0.83 L3MBTL1 (0.52) HRH3ALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL3538800 0.83 HRH3 (0.58) HRH3MMP13MMP2KMT2AMEN1
SCHEMBL3160879 0.82 HRH3 (0.61) HRH3MMP13MMP2KMT2AMEN1
SCHEMBL16792606 0.82 HRH3 (0.63) HRH3MMP13MMP2KMT2AMEN1

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

“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.