SCHEMBL12165534

SCHEMBL12165534

CC(C)Oc1ccccc1C(=O)c1cc(Cl)ccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.60
IRAK4 Q9NWZ3 2/20 0.55
MAP2 P11137 1/20 0.47
FADS1 O60427 1/20 0.45
RORC P51449 2/20 0.44
RORB Q92753 2/20 0.44
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ACHE P22303 1/20 0.42
NOS2 P35228 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 1/20 0.41
KCNK3 O14649 1/20 0.41

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
SCHEMBL2705425 0.84 RECQL (0.65) RECQLRORCRORBMAPK13MAPK12
SCHEMBL7088362 0.82 IRAK4 (0.72) IRAK4IDO1TDO2ALDH1A1ACHE
SCHEMBL6953541 0.81 RECQL (0.60) RECQLALDH1A1NOS2NPC1RAB9A
SCHEMBL12165535 0.80 IRAK4 (0.45) IRAK4MAP2IDO1TDO2ALDH1A1
SCHEMBL12165498 0.79 RECQL (0.61) RECQLALDH1A1KDM4EMAPTGFER
SCHEMBL9540049 0.78 RECQL (0.79) RECQLFADS1ALDH1A1NOS2KDM4E
SCHEMBL5528744 0.78 RECQL (0.60) RECQLFADS1RORCRORBALDH1A1
SCHEMBL4117580 0.77 RECQL (0.52) RECQLFADS1RORCRORBALDH1A1
SCHEMBL3520933 0.76 RECQL (0.71) RECQLFADS1ALDH1A1NOS2MAPK13
SCHEMBL16146937 0.76 IRAK4 (0.60) IRAK4MAP2RORCALDH1A1KDM4E

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
EP-2493305-B1 2-AMINOINDOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA GENZYME CORP (US) 2015-03-25 EP disclosed
US-8980926-B2 2-aminoindole compounds and methods for the treatment of malaria GENZYME CORPORATION (US) 2015-03-17 US disclosed
US-8980926-B2 2-aminoindole compounds and methods for the treatment of malaria GENZYME CORPORATION (US) 2015-03-17 US disclosed
US-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-09-13 US disclosed
US-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-09-13 US disclosed
WO-2011053697-A1 2-AMINOINDOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA GENZYME CORPORATION (US) 2011-05-05 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-20120232063-A1 2-Aminoindole Compounds And Methods For The Treatment Of Malaria PNMT, AADAT, INMT RECQL 957/4885IRAK4 3702/4885MAP2 144/4885

“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.