SCHEMBL3299192

SCHEMBL3299192

O=C(NCCO)c1ccnc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.51
POLB P06746 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 4/20 0.48
PREP P48147 1/20 0.46
NEK1 Q96PY6 1/20 0.46
KDM5B Q9UGL1 2/20 0.45
KDM5A P29375 1/20 0.45
KDM5C P41229 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
ESR2 Q92731 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM1A O60341 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8945334 0.83 POLB (0.54) HPGDPOLBHTTKDM4ENEK1
SCHEMBL3033385 0.83 HPGD (0.55) HPGDKDM4EKDM5BKMT2AMEN1
SCHEMBL31055425 0.83 HTT (0.55) HPGDHTTKDM4EKMT2AMEN1
SCHEMBL3038275 0.83 KDM4E (0.48) KDM4EPREPKDM5BKDM5AKDM5C
SCHEMBL3298092 0.82 ALDH1A1 (0.51) HPGDHTTKDM4EKDM5BKDM5A
SCHEMBL10357586 0.81 HPGD (0.51) HPGDPOLBHTTKDM4ENEK1
SCHEMBL17804151 0.81 HPGD (0.59) HPGDPOLBHTTKDM4EPREP
SCHEMBL30315883 0.80 KDM4E (0.55) POLBHTTKDM4EPREPKDM5A
SCHEMBL2998198 0.80 KDM4E (0.55) POLBHTTKDM4EPREPKDM5A
SCHEMBL31055431 0.79 ADORA2A (0.50) HTTKDM4EPREPALDH1A1KDM1A

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
EP-2121600-B1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2012-07-18 EP disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
US-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-15 US disclosed
EP-2121600-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-11-25 EP disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO disclosed
WO-2008099000-A2 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-21 WO 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 (1 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-20100093703-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 HPGD 3767/4885POLB 4304/4885HTT 2814/4885

“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.