Sugi Predict

Sugi Predict / Compounds / SCHEMBL2655573

SCHEMBL2655573

SCHEMBL2655573

O=[N+]([O-])CC1(SCc2ccccc2)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GSTP1 P09211 1/20 0.33
▸ GSTM2 P28161 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ CPA1 P15085 3/20 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
SCHEMBL3407223 0.85 KMT2A (0.35) MAPK1MEN1KMT2AGSTP1GSTM2
SCHEMBL2977210 0.85 MEN1 (0.34) L3MBTL1MAPK1MEN1KMT2AGSTP1
SCHEMBL2654513 0.83 ALDH1A1 (0.35) MEN1KMT2AGSTP1GSTM2HTT
SCHEMBL27905405 0.79 MAPT (0.36) L3MBTL1MEN1KMT2AHTTALDH1A1
SCHEMBL2654367 0.77 ALDH1A1 (0.36) HTTALDH1A1NPSR1
SCHEMBL11757204 0.70 HTT (0.35) MAPK1HTTALDH1A1NPSR1LMNA
SCHEMBL9298914 0.66 MAPK1 (0.32) MAPK1MEN1KMT2AHTTALDH1A1
SCHEMBL9299144 0.64 ALDH1A1 (0.33) ALDH1A1NPSR1LMNA
SCHEMBL23145532 0.64 TRPA1 (0.39) ALDH1A1TDP1
SCHEMBL23341293 0.64 TP53 (0.39) ALDH1A1

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 31 patents — showing the first 20. 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-8410087-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-04-02 — — US disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 — — EP disclosed
EP-2508524-A2 Indole compound Takeda Pharmaceutical Company Limited (JP) 2012-10-10 — — EP disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 — — US disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 — — US disclosed
US-7777047-B2 Indole compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-17 — — 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-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 — — US disclosed
US-20090286975-A1 Indole compound YASUMA TSUNEO 2009-11-19 — — US disclosed
EP-2074119-A1 INDOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-07-01 — — EP disclosed
WO-2008050821-A1 INDOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-02 — — WO 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
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-5312904-A Body imaging agents AMERSHAM INTERNATIONAL PLC (GB) 1994-05-17 — — US disclosed
EP-0386873-B1 CATIONIC COMPLEXES OF TECHNETIUM 99M, AND LIGANDS THEREFOR AMERSHAM INTERNATIONAL plc (GB) 1993-09-15 — — EP disclosed
EP-0386873-A1 Cationic complexes of technetium 99m, and ligands therefor AMERSHAM INTERNATIONAL plc (GB) 1990-09-12 — — 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 (3 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 L3MBTL1 2173/4885MAPK1 380/4885MEN1 2138/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 L3MBTL1 2173/4885MAPK1 380/4885MEN1 2138/4885
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 L3MBTL1 2104/4885MAPK1 430/4885MEN1 3693/4885

“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.