SCHEMBL1060625

SCHEMBL1060625

Cn1c(=O)c2c(OCc3ccncc3)c(C(=O)O)sc2c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HDAC6 Q9UBN7 6/20 0.44
HDAC1 Q13547 5/20 0.44
HDAC8 Q9BY41 1/20 0.41
TP53 P04637 1/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
SGMS1 Q86VZ5 1/20 0.39
SGMS2 Q8NHU3 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
MAPK14 Q16539 1/20 0.38
POLB P06746 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EDNRA P25101 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL1063175 0.93 KDM4E (0.49) KDM4EALDH1A1HDAC6HDAC1HDAC8
SCHEMBL10314615 0.89 TP53 (0.43) KDM4EALDH1A1HDAC6HDAC1HDAC8
SCHEMBL10314367 0.89 HDAC6 (0.48) KDM4EALDH1A1HDAC6HDAC1HDAC8
SCHEMBL1062847 0.89 TSHR (0.51) KDM4EALDH1A1HDAC6HDAC1HSD17B10
SCHEMBL10314375 0.88 HDAC6 (0.41) KDM4EALDH1A1HDAC6HDAC1HDAC8
SCHEMBL10314381 0.87 TP53 (0.55) KDM4EHDAC6HDAC1TP53SGMS1
SCHEMBL10314378 0.87 TP53 (0.41) KDM4EALDH1A1HDAC6HDAC1HDAC8
SCHEMBL10314371 0.86 MAPT (0.45) KDM4EALDH1A1HDAC6HDAC1HDAC8
SCHEMBL10314387 0.86 HPGD (0.43) KDM4EALDH1A1HDAC6HDAC1HDAC8
SCHEMBL10314376 0.86 HDAC6 (0.43) KDM4EALDH1A1HDAC6HDAC1HDAC8

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 15 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-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
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 528/4885ALDH1A1 745/4885HDAC6 262/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KDM4E 464/4885ALDH1A1 776/4885HDAC6 261/4885

“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.