SCHEMBL5025586

SCHEMBL5025586

CCOc1ccccc1C(=O)c1oc2c(C)cccc2c1N

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
AHR P35869 1/20 0.43
MCL1 Q07820 1/20 0.42
HCRTR1 O43613 2/20 0.41
MAPT P10636 5/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
TP53 P04637 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
SCHEMBL10430027 0.77 KDM4E (0.66) KDM4EAHRMCL1MAPTNPSR1
SCHEMBL13699676 0.76 CYP1A2 (0.44) KDM4EAHRMAPTHPGDL3MBTL1
SCHEMBL5023109 0.75 KDM4E (0.55) KDM4EAHRMCL1MAPTNPSR1
SCHEMBL13699670 0.72 MCL1 (0.57) KDM4EAHRMCL1MAPTHPGD
SCHEMBL206583 0.72 HCRTR1 (0.66) KDM4EHCRTR1MAPTNPSR1HPGD
SCHEMBL14364718 0.71 MAPT (0.43) KDM4EAHRHCRTR1MAPTNPSR1
SCHEMBL16538476 0.70 CDC25B (0.64) HCRTR1
SCHEMBL8486271 0.69 KDM4E (0.53) KDM4EAHRMCL1MAPTHPGD
SCHEMBL11863445 0.67 LMNA (0.53) KDM4EHCRTR1MAPTNPSR1HPGD
SCHEMBL5023683 0.67 MAPT (0.50) KDM4EMCL1MAPTNPSR1HPGD

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-8486996-B2 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG (CH) 2013-07-16 US disclosed
US-8486996-B2 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG (CH) 2013-07-16 US disclosed
US-8486996-B2 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG (CH) 2013-07-16 US disclosed
EP-1894917-A1 Aryloxy- and arylthioxyacetophenone-type compounds for the treatment of cancer Basilea Pharmaceutica AG (CH) 2008-03-05 EP disclosed
EP-1894917-A1 Aryloxy- and arylthioxyacetophenone-type compounds for the treatment of cancer Basilea Pharmaceutica AG (CH) 2008-03-05 EP disclosed
EP-1697336-B1 AROYLFURANES AND AROYLTHIOPHENES SUITABLE FOR THE TREATMENT OF CANCER BASILEA PHARMACEUTICA AG (CH) 2007-12-19 EP disclosed
US-20060205739-A1 Aroylfuranes and aroylthiophenes BASILEA PHARMACEUTICA AG 2006-09-14 US disclosed
EP-1697336-A2 AROYLFURANES AND AROYLTHIOPHENES SUITABLE FOR THE TREATMENT OF CANCER Basilea Pharmaceutica AG (CH) 2006-09-06 EP disclosed
WO-2005061476-A2 AROYLFURANES AND AROYLTHIOPHENES BASILEA PHARMACEUTICA AG (CH) 2005-07-07 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-20060205739-A1 Aroylfuranes and aroylthiophenes TPMT, APRT, ABAT KDM4E 823/4885AHR 6/4885MCL1 1097/4885

“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.