SCHEMBL10314290

SCHEMBL10314290

CCN(CC)CCN(C)C(=O)c1sc2c(c1OC)c(=O)n(C)c1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
TP53 P04637 6/20 0.43
HSD17B10 Q99714 6/20 0.41
TSHR P16473 5/20 0.41
KDM4E B2RXH2 9/20 0.40
ALDH1A1 P00352 8/20 0.40
ALOX15 P16050 1/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 4/20 0.39
GAA P10253 3/20 0.39
GLA P06280 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.37
MAPK1 P28482 1/20 0.37

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 SCHEMBL1063966 0.94 KMT2A (0.43) KMT2ATP53HSD17B10TSHRKDM4E
SCHEMBL10314365 0.91 KMT2A (0.44) KMT2ATP53HSD17B10TSHRKDM4E
SCHEMBL12932764 0.90 RXFP1 (0.41) KMT2ATP53KDM4EMAPTNPSR1
SCHEMBL10314315 0.89 PGR (0.42) KMT2AKDM4EALDH1A1NPSR1HPGD
SCHEMBL13708826 0.88 TP53 (0.45) KMT2ATP53HSD17B10TSHRKDM4E
SCHEMBL10314355 0.88 TP53 (0.46) KMT2ATP53HSD17B10TSHRKDM4E
SCHEMBL10314430 0.87 KMT2A (0.43) KMT2ATP53HSD17B10TSHRKDM4E
SCHEMBL1062384 0.87 ADORA2B (0.42) KMT2ATP53MAPTNPSR1RXFP1
SCHEMBL1060995 0.87 RXFP1 (0.42) KMT2ATP53KDM4EALDH1A1MAPT
SCHEMBL1062713 0.87 RXFP1 (0.39) KMT2ATP53KDM4EMAPTNPSR1

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 453/4885TP53 3556/4885HSD17B10 256/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KMT2A 386/4885TP53 3584/4885HSD17B10 222/4885

“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.