SCHEMBL13312342

SCHEMBL13312342

CN(c1cccc2cc(-c3ncc(CN4CCC(c5ccccn5)CC4)s3)[nH]c12)S(=O)(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.37
DRD2 P14416 7/20 0.34
DRD3 P35462 6/20 0.34
TLR9 Q9NR96 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
OPRK1 P41145 1/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
OGA O60502 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
LMNA P02545 2/20 0.31
PKM P14618 2/20 0.31
FAAH O00519 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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 SCHEMBL2976463 0.94 DRD4 (0.34) DRD4DRD2DRD3TLR9TLR8
SCHEMBL13203605 0.93 DRD4 (0.36) DRD4DRD2DRD3TLR9TLR8
SCHEMBL2668702 0.92 MAPK1 (0.33) DRD4CNR1CNR2
SCHEMBL2659609 0.92 DRD4 (0.35) DRD4DRD2DRD3TLR9TLR8
SCHEMBL13203249 0.91 OGA (0.40) DRD2TLR9TLR8TLR7CNR1
SCHEMBL2668629 0.90 DRD4 (0.35) DRD4DRD2DRD3TLR9TLR8
SCHEMBL13203247 0.90 CNR1 (0.33) TLR9TLR8TLR7CNR1CNR2
SCHEMBL13203662 0.88 DRD4 (0.33) DRD4DRD2DRD3TLR9TLR8
SCHEMBL13203295 0.88 OGA (0.33) CNR1CNR2OGASMN1; SMN2LMNA
SCHEMBL13203232 0.88 CXCR4 (0.38) CNR1CNR2SMN1; SMN2LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100144702-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-06-10 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-20100137610-A1 Indole compound YASUMA TSUNEO 2010-06-03 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-7718798-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-18 US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 US disclosed
US-7652133-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-26 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 US disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 US disclosed
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-04-24 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 (4 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-20100144702-A1 INDOLE COMPOUND GCKR, GPR119, SLC5A1 DRD4 1619/4885DRD2 1368/4885DRD3 1730/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 DRD4 1619/4885DRD2 1368/4885DRD3 1730/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 DRD4 1619/4885DRD2 1368/4885DRD3 1730/4885
US-20080096877-A1 Glucokinase activators; prophylaxis or treatment of diabetes, obesity; sulfonamide or sulfonate-functional thiazole or thiadiazole-substituted indoles; N,N-dimethyl-2-{4-[(2-{7-[methyl(2-thienylsulfonyl)amino]-1H-indol-2-yl}-1,3-thiazol-5-yl)methyl]piperazin-1-yl}acetamide for example GCKR, GCK, KHK DRD4 2415/4885DRD2 2221/4885DRD3 2071/4885

“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.