SCHEMBL1058581

SCHEMBL1058581

Cn1c(=O)c2c(OCC3CCCO3)c(C(=O)N3CCSCC3)sc2c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 6/20 0.42
HPGD P15428 4/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 2/20 0.41
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ATM Q13315 1/20 0.38
SCD O00767 1/20 0.37
SHMT2 P34897 1/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.36
STAT1 P42224 1/20 0.36
MAPT P10636 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
SCHEMBL1062606 0.93 KDM4E (0.45) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL10314419 0.93 KDM4E (0.44) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL1057967 0.88 KDM4E (0.42) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL1062762 0.87 KDM4E (0.48) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL10314422 0.87 HSD17B10 (0.48) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL1061751 0.85 KDM4E (0.50) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL10314616 0.84 KDM4E (0.41) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL1061923 0.84 KDM4E (0.41) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
SCHEMBL1062258 0.84 HSD17B10 (0.48) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL1061968 0.83 HSD17B10 (0.45) KDM4ESMN1; SMN2KMT2ARAB9AALDH1A1

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 528/4885SMN1; SMN2 3564/4885KMT2A 453/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KDM4E 464/4885SMN1; SMN2 3559/4885KMT2A 386/4885

“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.