SCHEMBL2966074

SCHEMBL2966074

NCC1(SCc2ccccc2)CCC2(CC1)OCCO2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
CASP7 P55210 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PRMT1 Q99873 1/20 0.33
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TSHR P16473 2/20 0.32

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
SCHEMBL2654367 0.83 ALDH1A1 (0.36) RAB9ASMN1; SMN2POLBCYP1A2CYP3A4
SCHEMBL2668786 0.81 KMT2A (0.36) MEN1NPC1MAPK1CASP1RAB9A
SCHEMBL2977210 0.79 MEN1 (0.34) MEN1NPC1MAPK1CASP1RAB9A
SCHEMBL3404247 0.79 DPP4 (0.43) MEN1MAPK1KMT2ASMN1; SMN2CYP1A2
SCHEMBL2654119 0.76 MAOA (0.35) SMN1; SMN2POLBCYP1A2CYP3A4CYP2D6
SCHEMBL27784619 0.71 CYP2D6 (0.39) MEN1NPC1MAPK1RAB9AKMT2A
SCHEMBL23145532 0.70 TRPA1 (0.39) NPC1RAB9ASMN1; SMN2HSD17B10POLB
SCHEMBL23341266 0.70 IDO1 (0.39) HSD17B10POLBMAOAMAOBTSHR
SCHEMBL23341293 0.70 TP53 (0.39) HSD17B10POLBCYP1A2CYP3A4CYP2D6
SCHEMBL3410574 0.69 MAOA (0.71) POLBMAOAMAOBTAAR1DPP4

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 9 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
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-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-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-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

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 MEN1 2138/4885NPC1 2480/4885MAPK1 380/4885
US-20100137610-A1 Indole compound GCKR, GPR119, SLC5A1 MEN1 2138/4885NPC1 2480/4885MAPK1 380/4885
US-20090286975-A1 Indole compound GCKR, GPR119, SLC5A1 MEN1 2138/4885NPC1 2480/4885MAPK1 380/4885
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 MEN1 3693/4885NPC1 3885/4885MAPK1 430/4885

“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.