SCHEMBL10314365

SCHEMBL10314365

CCCCOc1c(C(=O)N(C)CCN(CC)CC)sc2c1c(=O)n(C)c1ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
TP53 P04637 6/20 0.41
SGMS2 Q8NHU3 1/20 0.41
MAPT P10636 3/20 0.40
HSD17B10 Q99714 7/20 0.39
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
TSHR P16473 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
MEN1 O00255 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38

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 SCHEMBL1062587 0.94 SGMS2 (0.42) KMT2ATP53SGMS2MAPTHSD17B10
SCHEMBL10314430 0.91 KMT2A (0.43) KMT2ATP53SGMS2MAPTHSD17B10
SCHEMBL10314290 0.91 KMT2A (0.47) KMT2ATP53MAPTHSD17B10KDM4E
SCHEMBL1057428 0.90 TP53 (0.41) KMT2ATP53SGMS2MAPTHSD17B10
SCHEMBL10314355 0.89 TP53 (0.46) KMT2ATP53SGMS2MAPTHSD17B10
SCHEMBL1062240 0.87 TP53 (0.45) KMT2ATP53SGMS2MAPTHSD17B10
SCHEMBL10314412 0.87 KMT2A (0.40) KMT2ATP53SGMS2HSD17B10KDM4E
SCHEMBL1062728 0.86 TP53 (0.57) TP53SGMS2MAPTKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL1060762 0.86 SGMS2 (0.42) KMT2ATP53SGMS2MAPTHSD17B10
SCHEMBL10314438 0.86 KDM4E (0.39) KMT2AMAPTKDM4EALDH1A1HPGD

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 3556/4885SGMS2 1431/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 KMT2A 386/4885TP53 3584/4885SGMS2 1493/4885

“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.