SCHEMBL5016722

SCHEMBL5016722

COc1ccc(O)c(C(=O)c2oc3ccc(Cl)cc3c2N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.60
ALDH1A1 P00352 8/20 0.60
SMN1; SMN2 Q16637 8/20 0.60
HSD17B10 Q99714 6/20 0.60
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 1/20 0.60
HPGD P15428 7/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
TP53 P04637 1/20 0.56
HTT P42858 1/20 0.56
SIRT1 Q96EB6 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.46

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
SCHEMBL5016716 0.89 KDM4E (0.60) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL5023673 0.81 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL5025590 0.81 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL4573629 0.75 KDM4E (1.00) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL1849885 0.73 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL15766209 0.73 KDM4E (0.76) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL15766218 0.73 KDM4E (0.74) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL4928789 0.72 KDM4E (0.56) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL7251926 0.72 POLB (0.73) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL5023109 0.72 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1

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 823/4885ALDH1A1 308/4885SMN1; SMN2 3852/4885

“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.