SCHEMBL10314404

SCHEMBL10314404

COC[C@H]1CCCN1C(=O)c1sc2c(c1OCCN1CCOCC1)c(=O)n(C)c1ccccc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 2/20 0.37
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 4/20 0.37
HPGD P15428 3/20 0.37
ALOX15 P16050 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 2/20 0.36
CNR2 P34972 3/20 0.36
SOS1 Q07889 1/20 0.36
CNR1 P21554 2/20 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
SCHEMBL10314648 1.00 MEN1 (0.39) MEN1KMT2AHRH3MAPTTP53
Trifluoroacetic Acid SCHEMBL1061408 0.95 MEN1 (0.38) MEN1KMT2AHRH3MAPTTP53
SCHEMBL1058657 0.88 TP53 (0.39) MEN1KMT2AHRH3MAPTTP53
SCHEMBL10314594 0.88 TP53 (0.39) MEN1KMT2AHRH3MAPTTP53
SCHEMBL1062245 0.87 ALDH1A1 (0.40) MEN1KMT2AHRH3MAPTTP53
SCHEMBL10314613 0.87 ALDH1A1 (0.40) MEN1KMT2AHRH3MAPTTP53
SCHEMBL1061923 0.85 KDM4E (0.41) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL10314616 0.85 KDM4E (0.41) MEN1KMT2ATP53KDM4EALDH1A1
SCHEMBL1062897 0.85 HDAC6 (0.41) MEN1KMT2AHRH3MAPTTP53
SCHEMBL12962928 0.85 HDAC6 (0.41) MEN1KMT2AHRH3MAPTTP53

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 6 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-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

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 MEN1 1922/4885KMT2A 453/4885HRH3 227/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 MEN1 2094/4885KMT2A 386/4885HRH3 339/4885

“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.