SCHEMBL1062575

SCHEMBL1062575

CCCCn1c(=O)c2c(OCCOCC)c(C(=O)OCC)sc2c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 5/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CNR2 P34972 1/20 0.43
POLB P06746 1/20 0.43
PGR P06401 1/20 0.42
RORA P35398 1/20 0.42
RORC P51449 1/20 0.42
RORB Q92753 1/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 1/20 0.41
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL1061990 0.91 KDM4E (0.45) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL1060682 0.89 KDM4E (0.58) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL1063014 0.88 RAB9A (0.45) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL13708819 0.88 ALDH1A1 (0.46) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL1062830 0.88 HSD17B10 (0.54) KDM4ELMNAALDH1A1L3MBTL1TSHR
SCHEMBL1061862 0.88 CNR2 (0.44) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL1062256 0.87 KDM4E (0.41) KDM4ELMNAALDH1A1HTTL3MBTL1
SCHEMBL1063542 0.87 RAB9A (0.51) KDM4ELMNAALDH1A1HTTTSHR
SCHEMBL1064168 0.86 KMT2A (0.43) KDM4ELMNAALDH1A1L3MBTL1TSHR
SCHEMBL10314436 0.85 ALDH1A1 (0.47) KDM4ELMNAALDH1A1HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 EP disclosed
EP-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
WO-2009107850-A2 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-03 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 (2 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KDM4E 528/4885LMNA 4534/4885ALDH1A1 745/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KDM4E 464/4885LMNA 4392/4885ALDH1A1 776/4885

“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.