SCHEMBL2199093

SCHEMBL2199093

CCOC(=O)c1ccc(-c2cn(CCC(C)(C)NCC(O)c3ccccc3NS(=O)(=O)c3ccccc3)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 2/20 0.42
KMT2A Q03164 5/20 0.41
LMNA P02545 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 4/20 0.39
NPC1 O15118 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MCL1 Q07820 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPT P10636 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.36

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
SCHEMBL2199835 0.93 GLO1 (0.35) ALDH1A1SMN1; SMN2TSHRKMT2AMEN1
SCHEMBL2198136 0.92 TRPV1 (0.36) KMT2AMEN1MCL1MAPT
SCHEMBL2196555 0.90 TRPV1 (0.38) KMT2AMEN1
SCHEMBL2202156 0.89 KMT2A (0.38) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL2199090 0.87 MAPT (0.44) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL2202258 0.87 MAPT (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1HTT
SCHEMBL4913376 0.83 TSHR (0.41) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL2199552 0.83 TSHR (0.41) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL2200968 0.83 SLC40A1 (0.38) ALDH1A1SMN1; SMN2TSHRKMT2ALMNA
SCHEMBL2202155 0.83 MAPT (0.41) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US claimed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US claimed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 US claimed
US-7977334-B2 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity modulator, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-12 US disclosed
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder TRIESELMANN THOMAS 2009-09-03 US disclosed
US-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions TRIESELMANN THOMAS 2008-09-25 US disclosed
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 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 (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-20080234278-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ALDH1A1 674/4885SMN1; SMN2 1888/4885TSHR 527/4885
US-20090221589-A1 Use of aminoalcohol derivatives for the treatment of overactive bladder ADRB2, ADRB1, ADRB3 ALDH1A1 172/4885SMN1; SMN2 1718/4885TSHR 1132/4885
US-20050245526-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 ALDH1A1 674/4885SMN1; SMN2 1888/4885TSHR 527/4885

“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.