SCHEMBL3540193

SCHEMBL3540193

CC(C)n1c(C(=O)O)cc2cc(C(=O)N3CCCC(N(C)C)C3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 6/20 0.45
JAK1 P23458 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
PADI4 Q9UM07 1/20 0.40
CDK1 P06493 2/20 0.40
CDK2 P24941 2/20 0.40
PDK2 Q15119 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
MYC P01106 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
SCHEMBL3542599 0.88 KMT2A (0.48) PROKR1L3MBTL3HRH3
SCHEMBL27739826 0.87 HRH3 (0.40) PROKR1JAK1L3MBTL3PADI4CDK1
SCHEMBL3540158 0.87 HRH3 (0.40) PROKR1JAK1L3MBTL3PADI4CDK1
SCHEMBL3539000 0.87 HRH3 (0.54) PROKR1JAK1L3MBTL3PADI4CDK1
SCHEMBL3534607 0.87 ALDH1A1 (0.41) PROKR1CDK1CDK2HRH3
SCHEMBL3538806 0.81 HRH3 (0.56) L3MBTL3CDK1CDK2PDK2HRH3
SCHEMBL3535650 0.74 MAPT (0.46) JAK1L3MBTL3PDK2HRH3
SCHEMBL3174857 0.74 KMT2A (0.54) HRH3
SCHEMBL27739846 0.71 JAK1 (0.40) PROKR1JAK1L3MBTL3PDK2MYC
SCHEMBL3177575 0.71 CHRNA7 (0.51) HRH3

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 PROKR1 534/4885JAK1 1241/4885L3MBTL3 3467/4885
US-20070244125-A1 5-amido-indole-2-carboxamide derivatives HRH4, HRH3, CNR2 PROKR1 534/4885JAK1 1241/4885L3MBTL3 3467/4885

“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.