SCHEMBL749641

SCHEMBL749641

CCS(=O)(=O)Nc1cncc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.47
HPGD P15428 3/20 0.42
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
CYP11B2 P19099 2/20 0.41
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
POLB P06746 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
CYP17A1 P05093 1/20 0.39
EGFR P00533 2/20 0.38
MAPK1 P28482 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
ROCK2 O75116 1/20 0.38

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
Ethanesulfonic Acid Amide SCHEMBL1607974 0.94 SLC22A12 (0.43) SLC22A12HPGDMAPTL3MBTL1KDM4E
SCHEMBL856308 0.81 PIK3CB (0.54) SLC22A12ALPL
SCHEMBL18595672 0.80 SLC22A12 (0.48) SLC22A12HPGDMAPTL3MBTL1SMN1; SMN2
SCHEMBL16913769 0.79 SLC22A12 (0.42) SLC22A12HPGDMAPTKDM4ESMN1; SMN2
SCHEMBL23563123 0.79 HPGD (0.46) HPGDMAPTL3MBTL1SMN1; SMN2HTT
SCHEMBL28850792 0.79 HPGD (0.42) HPGDMAPTL3MBTL1SMN1; SMN2HTT
SCHEMBL30043814 0.79 HPGD (0.42) HPGDMAPTL3MBTL1SMN1; SMN2HTT
SCHEMBL3093140 0.77 ALDH1A1 (0.47) SLC22A12HPGDSMN1; SMN2HTTLMNA
SCHEMBL3119732 0.77 SLC22A12 (0.46) SLC22A12MAPTKDM4ESMN1; SMN2POLB
SCHEMBL17996191 0.76 NR3C2 (0.44) SLC22A12HPGDMAPTL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
EP-2701512-B1 ALDOSTERONE SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2017-04-05 EP disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
US-9073929-B2 Aldosterone synthase inhibitors ELEXOPHARM GMBH (DE) 2015-07-07 US disclosed
CN-102459247-B benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG 2014-09-17 CN disclosed
WO-2014106800-A2 SUBSTITUTED 2-AMINO PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-10 WO disclosed
WO-2014106800-A2 SUBSTITUTED 2-AMINO PYRIMIDINE DERIVATIVES AS KINASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2014-07-10 WO disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS ELEXOPHARM GMBH (DE) 2014-02-13 US disclosed
EP-2430018-B1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2013-07-03 EP disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
US-8455522-B2 Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-06-04 US disclosed
CN-102459247-A Benzoxazolone derivatives as aldosterone synthase inhibitors NOVARTIS AG 2012-05-16 CN disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
US-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 US disclosed
EP-2430018-A2 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS Novartis AG (CH) 2012-03-21 EP disclosed
WO-2010130773-A2 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYMTHASE INHIBITORS NOVARTIS AG (CH) 2010-11-18 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 (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-20120071514-A1 BENZOXAZOLONE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B2, CYP11B1, CYP21A2 SLC22A12 1843/4885HPGD 96/4885MAPT 3928/4885
US-20140045819-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP21A2, CYP17A1, HSD11B1 SLC22A12 2336/4885HPGD 220/4885MAPT 3087/4885

“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.