SCHEMBL781885

SCHEMBL781885

CCOC(=O)CCNC(=O)Nc1cccc(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
CASR P41180 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MITF O75030 2/20 0.57
PAX8 Q06710 1/20 0.57
EPHX2 P34913 2/20 0.52
PTPN7 P35236 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
NAMPT P43490 1/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 2/20 0.49
CREBBP Q92793 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA12 O43570 1/20 0.49

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
SCHEMBL2158936 0.87 NPC1 (0.60) ALDH1A1NPC1RAB9ACASRSMN1; SMN2
SCHEMBL27519540 0.85 ALDH1A1 (0.82) ALDH1A1NPC1RAB9ACASRSMN1; SMN2
SCHEMBL6915485 0.84 ALDH1A1 (0.60) ALDH1A1EPHX2PTPN7NAMPTMAPT
SCHEMBL6064770 0.80 CASR (0.64) ALDH1A1NPC1RAB9ACASRSMN1; SMN2
SCHEMBL30443967 0.80 CASR (0.63) ALDH1A1NPC1RAB9ACASRSMN1; SMN2
SCHEMBL8625971 0.79 ALDH1A1 (0.52) ALDH1A1PAX8EPHX2PTPN7NAMPT
SCHEMBL7837395 0.79 NAMPT (0.53) ALDH1A1NPC1RAB9ASMN1; SMN2NAMPT
SCHEMBL10658594 0.78 LMNA (0.68) ALDH1A1NPC1RAB9ASMN1; SMN2MITF
SCHEMBL7158245 0.78 EPHX1 (0.72) ALDH1A1CASREPHX2NR1H4
SCHEMBL7414814 0.78 ALDH1A1 (0.55) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2017-05-25 US disclosed
US-9522149-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2016-12-20 US disclosed
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-08-13 US disclosed
US-9050339-B2 Pyrazine derivatives as ENaC blockers NOVARTIS AG (CH) 2015-06-09 US disclosed
EP-2616447-B1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2015-02-18 EP disclosed
US-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2014-04-24 US disclosed
EP-2616447-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS Novartis AG (CH) 2013-07-24 EP disclosed
US-8372845-B2 Pyrazine derivatives as enac blockers NOVARTIS AG (CH) 2013-02-12 US disclosed
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 US disclosed
WO-2012035158-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS NOVARTIS AG (CH) 2012-03-22 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 (4 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-20140113914-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885NPC1 2495/4885RAB9A 233/4885
US-20150224098-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885NPC1 2495/4885RAB9A 233/4885
US-20170143705-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885NPC1 2495/4885RAB9A 233/4885
US-20120071479-A1 PYRAZINE DERIVATIVES AS ENAC BLOCKERS REN, SCNN1B, SCN5A ALDH1A1 2428/4885NPC1 2495/4885RAB9A 233/4885

“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.