SCHEMBL543593

SCHEMBL543593

COC(=O)c1cccc(NC(C)=S)c1I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 6/20 0.47
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 5/20 0.47
MAPT P10636 7/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPK1 P28482 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 6/20 0.46
ALOX12 P18054 3/20 0.46
MEN1 O00255 2/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL543956 0.87 LMNA (0.51) LMNAKMT2AKDM4EPOLBATM
SCHEMBL13255409 0.81 LMNA (0.52) LMNAKMT2AKDM4EPOLBATM
SCHEMBL2842204 0.79 TSHR (0.57) LMNAKMT2AKDM4EPOLBATM
SCHEMBL23218849 0.76 TSHR (0.66) LMNAKMT2AKDM4EPOLBATM
SCHEMBL29852869 0.76 TSHR (0.66) LMNAKMT2AKDM4EPOLBATM
SCHEMBL3161423 0.73 TSHR (0.50) LMNAKMT2AKDM4EPOLBATM
SCHEMBL28424016 0.73 TSHR (0.50) LMNAKMT2AKDM4EPOLBATM
SCHEMBL1673040 0.71 TSHR (0.48) LMNAKMT2AKDM4EPOLBATM
SCHEMBL31454562 0.71 TSHR (0.48) LMNAKMT2AKDM4EPOLBATM
SCHEMBL31719604 0.71 TSHR (0.48) LMNAKMT2AKDM4EPOLBATM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
CN-101687810-A Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL 2010-03-31 CN disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP 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 (1 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH LMNA 339/4885KMT2A 908/4885KDM4E 2179/4885

“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.