SCHEMBL5117060

SCHEMBL5117060

CNCc1cc(C(C)(C)C)cc(C(N)=O)c1OC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK8 P45983 2/20 0.34
RARG P13631 1/20 0.34
RXRA P19793 1/20 0.34
PPARG P37231 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
SCHEMBL689665 0.84 MAPT (0.41) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL690623 0.82 RARG (0.41) MEN1KMT2APARP1ALDH1A1KDM4E
SCHEMBL5110866 0.81 CYP2C19 (0.50) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL688392 0.80 MAPK14 (0.38) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL689738 0.78 PKM (0.41) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL689659 0.78 RARG (0.35) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL690167 0.78 MAPT (0.38) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL5117065 0.78 GAA (0.38) MEN1KMT2ASLC6A4ALDH1A1
SCHEMBL5118350 0.76 POLB (0.42) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL5124004 0.76 HCRTR1 (0.42) ALDH1A1KDM4EHTT

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 8 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
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 MEN1 1869/4885KMT2A 4402/4885SLC6A2 4881/4885

“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.