SCHEMBL2847737

SCHEMBL2847737

CC(c1ccccc1)n1cnc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.59
KMT2A Q03164 5/20 0.59
HPGD P15428 3/20 0.59
HSD17B10 Q99714 1/20 0.59
FGFR1 P11362 2/20 0.59
ALDH1A1 P00352 7/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 3/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
PKM P14618 1/20 0.44
LCK P06239 1/20 0.44
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 1/20 0.42
NPC1 O15118 1/20 0.42
NPBWR1 P48145 1/20 0.42
RAB9A P51151 1/20 0.42
MCHR1 Q99705 1/20 0.42
RECQL P46063 1/20 0.41

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
SCHEMBL2841822 0.90 KMT2A (0.59) MEN1KMT2AHPGDHSD17B10FGFR1
SCHEMBL7036153 0.84 FGFR1 (0.56) MEN1KMT2AHPGDFGFR1ALDH1A1
SCHEMBL19911387 0.79 FGFR1 (0.51) MEN1KMT2AHPGDFGFR1ALDH1A1
SCHEMBL15539513 0.76 MEN1 (1.00) MEN1KMT2AHPGDHSD17B10ALDH1A1
SCHEMBL3304570 0.76 MEN1 (1.00) MEN1KMT2AHPGDHSD17B10ALDH1A1
SCHEMBL15540388 0.76 MEN1 (1.00) MEN1KMT2AHPGDHSD17B10ALDH1A1
SCHEMBL19911376 0.74 FGFR1 (1.00) MEN1KMT2AHPGDFGFR1ALDH1A1
SCHEMBL2292931 0.74 ALDH1A1 (0.52) MEN1KMT2AHPGDHSD17B10FGFR1
SCHEMBL2846719 0.74 CYP19A1 (0.48) MEN1KMT2AALDH1A1L3MBTL1HTT
SCHEMBL15540364 0.74 MEN1 (0.62) MEN1KMT2AHPGDHSD17B10FGFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8232312-B2 Substituted arylsulphonylglycines, the preparation thereof and the use thereof as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-31 US disclosed
EP-2125718-B1 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INT (DE) 2010-09-15 EP disclosed
US-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-05-27 US disclosed
EP-2125718-A2 NEW SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008113760-A2 ARYLSULPHONYGLYCINE DERIVATIVES AS SUPPRESSORS OF THE INTERACTION OF GLYCOGEN PHOSPHORYLASE A WITH THE GL SUBUNIT OF GLYCOGEN-ASSOCIATED PROTEIN PHOSPHATASE 1 (PPL) FOR THE TREATMENT OF METABOLIC DISORDERS, PARTICULARY DIABETES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-09-25 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-20100130557-A1 SUBSTITUTED ARYLSULPHONYLGLYCINES, THE PREPARATION THEREOF AND THE USE THEREOF AS PHARMACEUTICAL COMPOSITIONS PYGL, PYGM, G6PC1 MEN1 4541/4885KMT2A 2413/4885HPGD 3154/4885

“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.