Sugi Predict

Sugi Predict / Compounds / SCHEMBL2654119

SCHEMBL2654119

SCHEMBL2654119

NCC1(SCc2ccccc2)CCSCC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ TAAR1 Q96RJ0 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ PRMT1 Q99873 1/20 0.35
▸ IDO1 P14902 5/20 0.34
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ LOXL2 Q9Y4K0 2/20 0.33
▸ DPP4 P27487 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2A6 P11509 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CALM1 P0DP23 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
SCHEMBL3404247 0.83 DPP4 (0.43) MAOAMAOBTAAR1CYP1A2CYP3A4
SCHEMBL2654367 0.80 ALDH1A1 (0.36) MAOAMAOBTAAR1CYP1A2CYP3A4
SCHEMBL2654513 0.77 ALDH1A1 (0.35) CYP1A2CYP3A4IDO1NOS3NOS1
SCHEMBL2966074 0.76 MEN1 (0.35) MAOAMAOBTAAR1CYP1A2CYP3A4
SCHEMBL27784619 0.74 CYP2D6 (0.39) CYP1A2CYP3A4CYP2D6IDO1POLB
SCHEMBL23145532 0.69 TRPA1 (0.39) MAOAMAOBCYP1A2CYP3A4CYP2D6
SCHEMBL23341266 0.69 IDO1 (0.39) MAOAMAOBIDO1NOS3NOS1
SCHEMBL23341293 0.69 TP53 (0.39) MAOAMAOBCYP1A2CYP3A4CYP2D6
SCHEMBL11619698 0.65 KMT2A (0.42) MAOAMAOBIDO1NOS3NOS1
SCHEMBL29093049 0.63 IDO1 (0.41) MAOAMAOBCYP3A4IDO1NOS3

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 20 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-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
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-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
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

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 MAOA 326/4885MAOB 479/4885TAAR1 1001/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 MAOA 326/4885MAOB 479/4885TAAR1 1001/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 MAOA 326/4885MAOB 479/4885TAAR1 1001/4885
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 MAOA 2299/4885MAOB 2717/4885TAAR1 1603/4885

“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.