SCHEMBL1828937

SCHEMBL1828937

Cc1cc(C#N)ccc1-c1c(-c2ccc(Br)cc2)ccn1CCC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
FFAR1 O14842 2/20 0.37
KMO O15229 1/20 0.37
NSD2 O96028 2/20 0.37
KDM1A O60341 2/20 0.36
GAA P10253 1/20 0.36
MMP2 P08253 1/20 0.35
CNKSR1 Q969H4 1/20 0.35
EGLN2 Q96KS0 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
SLC22A12 Q96S37 2/20 0.34
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL1828289 0.84 ADH5 (0.51) NSD2SLC22A12
SCHEMBL1829684 0.83 HRH2 (0.45) HRH2HRH1FFAR1MMP2
SCHEMBL1828357 0.75 GRM2 (0.42) HRH2HRH1NSD2KDM1AEGLN2
SCHEMBL17629909 0.74 MAOA (0.43) HRH2HRH1KDM1AEGLN2
SCHEMBL1829979 0.71 HRH2 (0.40) HRH2HRH1NSD2EGLN2
SCHEMBL1829774 0.69 HRH2 (0.41) HRH2HRH1FFAR1GAA
SCHEMBL1828544 0.69 AR (0.41) HRH2HRH1KDM1AEGLN2
SCHEMBL1828903 0.68 GRM2 (0.38) HRH2HRH1SLC22A12
SCHEMBL1829683 0.67 HRH2 (0.44) HRH2HRH1
SCHEMBL12556740 0.67 MEN1 (0.54) GAACNKSR1

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
US-9029402-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase NIVALIS THERAPEUTICS, INC. (US) 2015-05-12 US disclosed
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase NIVALIS THERAPEUTICS, INC. 2014-04-24 US disclosed
US-8642628-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase N30 PHARMACEUTICALS, INC. (US) 2014-02-04 US disclosed
EP-2315590-B1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS LLC (US) 2012-09-26 EP disclosed
US-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase N30 PHARMACEUTICALS, LLC (US) 2011-06-09 US disclosed
EP-2315590-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 Pharmaceuticals, LLC (US) 2011-05-04 EP disclosed
WO-2010019909-A1 PYRROLE INHIBITORS OF S-NITROSOGLUTATHIONE REDUCTASE N30 PHARMACEUTICALS, LLC (US) 2010-02-18 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-20110136875-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR HRH2 3574/4885HRH1 4245/4885FFAR1 1480/4885
US-20140113938-A1 Pyrrole Inhibitors of S-Nitrosoglutathione Reductase GSR, GRHPR, POR HRH2 3574/4885HRH1 4245/4885FFAR1 1480/4885

“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.