SCHEMBL10314412

SCHEMBL10314412

CCN(CC)CCN(C)C(=O)c1sc2c(c1OCCN1CCOCC1)c(=O)n(C)c1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 6/20 0.39
HPGD P15428 5/20 0.39
MAPK1 P28482 3/20 0.39
MEN1 O00255 1/20 0.38
ALOX15 P16050 2/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 2/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
SGMS2 Q8NHU3 1/20 0.35
MAOB P27338 1/20 0.35
PARP1 P09874 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL1063002 0.95 KDM4E (0.37) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10314401 0.91 KDM4E (0.41) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10314399 0.89 KDM4E (0.42) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL12962867 0.89 MEN1 (0.43) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10314405 0.87 TP53 (0.51) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10314365 0.87 KMT2A (0.44) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10314408 0.87 KMT2A (0.53) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10314402 0.86 MEN1 (0.41) KMT2AKDM4EALDH1A1HSD17B10HPGD
Trifluoroacetic Acid SCHEMBL1062161 0.86 KDM4E (0.38) KMT2AKDM4EALDH1A1HSD17B10HPGD
SCHEMBL10314430 0.85 KMT2A (0.43) KMT2AKDM4EALDH1A1HSD17B10HPGD

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 10 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
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-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 KMT2A 453/4885KDM4E 528/4885ALDH1A1 745/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KMT2A 386/4885KDM4E 464/4885ALDH1A1 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.