SCHEMBL3539583

SCHEMBL3539583

CCOC(=O)c1cccc(-n2c(C(=O)N3CCC(F)(F)CC3)cc3cc(C(=O)N4CCN(C5CCCC5)CC4)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.47
HPGD P15428 3/20 0.43
HTT P42858 1/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 2/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3536745 0.88 HRH3 (0.50) HRH3HPGDALDH1A1LMNASMN1; SMN2
SCHEMBL3539671 0.88 HRH3 (0.49) HRH3HPGDHTTALDH1A1MEN1
SCHEMBL3538196 0.86 HRH3 (0.48) HRH3HPGDHTTALDH1A1KMT2A
SCHEMBL3541059 0.85 HTT (0.54) HRH3HPGDHTTALDH1A1MEN1
SCHEMBL3542678 0.85 L3MBTL1 (0.54) HRH3HPGDHTTALDH1A1MEN1
SCHEMBL3537598 0.85 HRH3 (0.52) HRH3HPGDHTTALDH1A1MEN1
SCHEMBL3535868 0.84 HPGD (0.52) HRH3HPGDHTTALDH1A1MEN1
SCHEMBL3538363 0.84 HRH3 (0.51) HRH3HTTALDH1A1POLBL3MBTL1
SCHEMBL3535856 0.83 HRH3 (0.54) HRH3HPGDALDH1A1MEN1KMT2A
SCHEMBL3541448 0.83 HRH3 (0.49) HRH3HTTALDH1A1L3MBTL1KDM4E

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 2/4885HPGD 810/4885HTT 802/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 HRH3 2/4885HPGD 810/4885HTT 802/4885

“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.