SCHEMBL4913376

SCHEMBL4913376

CCOC(=O)c1ccc2ncn(CCC(C)(C)NCC(O)c3ccccc3NS(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.39
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MCL1 Q07820 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 2/20 0.36
HPGD P15428 2/20 0.36
BLM P54132 2/20 0.36
PLEC Q15149 1/20 0.36
PKM P14618 1/20 0.35

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
SCHEMBL2199552 0.94 TSHR (0.41) TSHRKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4915383 0.91 FGFR1 (0.36) TSHRKMT2AALDH1A1LMNAKDM4E
SCHEMBL4894089 0.89 TSHR (0.40) TSHRKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4889584 0.88 KMT2A (0.40) TSHRKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4913365 0.87 ADRB3 (0.43) KMT2AALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL5468010 0.87 ADRB3 (0.43) KMT2AALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL4893741 0.86 KMT2A (0.41) TSHRKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL2201475 0.85 NR1I2 (0.40) TSHRKMT2AALDH1A1LMNAKDM4E
SCHEMBL4908103 0.85 TSHR (0.47) TSHRKMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4892969 0.84 KMT2A (0.41) TSHRKMT2AALDH1A1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US claimed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 US claimed
US-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-01 US disclosed
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-17 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 (2 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-20080103138-A1 Beta-agonists, methods for the preparation thereof and their use as pharmaceutical compositions ADRB1, ADRB3, ADRB2 TSHR 466/4885KMT2A 4734/4885ALDH1A1 717/4885
US-20070112033-A1 N-(3-{2-[3-(6-amino-benzimidazol-1-yl)-1,1-dimethyl-propylamino]-1-hydroxy-ethyl}-phenyl)-benzenesulphonamide; beta(3)-Adrenoceptor agonists; antidiabetic, obesity, insulin resistance ADRB3, ADRB1, ADRA1B TSHR 85/4885KMT2A 4585/4885ALDH1A1 573/4885

“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.