SCHEMBL5111728

SCHEMBL5111728

CN(C)C1CCN(c2nccc(Oc3cccc4cc(C(=O)O)n(C)c34)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
PTPN11 Q06124 1/20 0.36
RBP4 P02753 1/20 0.35
TTR P02766 1/20 0.35
PIK3CD O00329 1/20 0.35
KDM4E B2RXH2 5/20 0.35
MAP4K1 Q92918 1/20 0.35
POLB P06746 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK14 Q16539 2/20 0.34
HSD17B10 Q99714 2/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
MEN1 O00255 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL5118560 0.95 DYRK1A (0.40) ALDH1A1RBP4TTRHCRTR1HCRTR2
SCHEMBL4047440 0.87 MAP3K7 (0.39) ALDH1A1NPSR1MAPK14HSD17B10PTK2
SCHEMBL5114170 0.85 ACHE (0.36) ALDH1A1KDM4EMAPK14HSD17B10HCRTR1
SCHEMBL5125191 0.84 ACHE (0.43) ALDH1A1PTPN11KDM4ENPSR1MAPK14
SCHEMBL5119462 0.84 MAPK14 (0.39) ALDH1A1NPSR1MAPK14HSD17B10HCRTR1
SCHEMBL5118555 0.83 PIK3CD (0.36) ALDH1A1PIK3CDKDM4EPOLBMAPK14
SCHEMBL5119338 0.82 KDM4E (0.39) ALDH1A1KDM4EHPGDLMNASMN1; SMN2
SCHEMBL5123585 0.81 MCL1 (0.40) ALDH1A1KDM4EPOLBMAPK14HSD17B10
SCHEMBL14276221 0.78 MAPK14 (0.54) MAPK14
SCHEMBL5126300 0.77 CHRNA7 (0.39) MAP4K1HCRTR1HCRTR2DYRK1APTK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US claimed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP claimed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO claimed
US-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US disclosed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 US disclosed
US-7078419-B2 N-aryl-7-(pyridin-4yl-methyl-, oxy-, thio-or amino-)indole-2-carbonamide derivatives, e.g., 7-(2,6-Dimethyl-pyridin-4-yloxy)-1H-indole-2-carboxylic acid (5-tert-butyl-3-methanesulfonylamino-2-methoxy-phenyl)-amide; treating chronic inflammatory diseases and anticoagulant or fibrinolytic therapy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-07-18 US disclosed
EP-1631567-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-03-08 EP disclosed
WO-2005016918-A2 HETEROCYCLIC N-ARYL CARBOXAMIDES AS CYTOKINE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-02-24 WO 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 (1 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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 ALDH1A1 1355/4885PTPN11 1046/4885RBP4 2649/4885

“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.