SCHEMBL520263

SCHEMBL520263

COc1ccc([N+](=O)[O-])cc1N1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 3/20 0.61
ALDH1A1 P00352 5/20 0.58
MAPK1 P28482 2/20 0.58
HTT P42858 2/20 0.58
PAX8 Q06710 1/20 0.58
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPT P10636 2/20 0.56
RAB9A P51151 2/20 0.56
MITF O75030 1/20 0.56
KMT2A Q03164 3/20 0.54
SLC6A9 P48067 2/20 0.54
HSP90AA1 P07900 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL29833031 1.00 SLC6A5 (0.61) SLC6A5ALDH1A1MAPK1HTTPAX8
SCHEMBL2483209 0.93 SLC6A5 (0.55) SLC6A5ALDH1A1MAPK1HTTPAX8
SCHEMBL2062084 0.89 SLC6A5 (0.64) SLC6A5ALDH1A1MAPK1HTTPAX8
SCHEMBL29788533 0.89 SLC6A5 (0.64) SLC6A5ALDH1A1MAPK1HTTPAX8
SCHEMBL12528187 0.88 SLC6A5 (0.63) SLC6A5ALDH1A1MAPK1HTTPAX8
SCHEMBL10035015 0.86 ALDH1A1 (0.52) SLC6A5ALDH1A1MAPK1HTTPAX8
SCHEMBL4865184 0.84 HTR6 (0.62) ALDH1A1MAPK1HTTLMNASMN1; SMN2
SCHEMBL1613091 0.83 HTR6 (0.66) ALDH1A1MAPK1HTTLMNASMN1; SMN2
SCHEMBL6982016 0.83 LMNA (0.56) SLC6A5ALDH1A1MAPK1HTTLMNA
SCHEMBL283237 0.83 ALDH1A1 (0.60) SLC6A5ALDH1A1MAPK1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 MISSION THERAPEUTICS LIMITED (GB) 2021-08-17 US disclosed
CN-108290861-B 1-cyano-pyrrolidine derivatives as USP30 inhibitors 特殊治疗有限公司 2021-05-25 CN disclosed
US-20200262838-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2020-08-20 US disclosed
EP-3383859-B1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-04-29 EP disclosed
EP-3383859-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30. Mission Therapeutics Limited (GB) 2018-10-10 EP disclosed
WO-2017093718-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30. MISSION THERAPEUTICS LIMITED (GB) 2017-06-08 WO disclosed
WO-2017093718-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30. MISSION THERAPEUTICS LIMITED (GB) 2017-06-08 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 US disclosed
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 US disclosed
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2005-10-06 US disclosed
US-6916798-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-07-12 US disclosed
US-20040024040-A1 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED 2004-02-05 US disclosed
WO-2003011287-A1 PYRAZOLON DERIVATIVES AS INHIBITORS OF GSK-3 VERTEX PHARMACEUTICALS INCORPORATED (US) 2003-02-13 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 (5 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-11091488-B2 1-cyano-pyrrolidine derivatives as inhibitors of USP30 USP30, USP1, USP20 SLC6A5 2820/4885ALDH1A1 787/4885MAPK1 1265/4885
US-20040024040-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A SLC6A5 4777/4885ALDH1A1 3536/4885MAPK1 484/4885
US-20050222237-A1 Inhibitors of GSK-3 and uses thereof GSK3B, AURKC, GSK3A SLC6A5 4777/4885ALDH1A1 3536/4885MAPK1 484/4885
US-20200262838-A1 1-CYANO-PYRROLIDINE DERIVATIVES AS INHIBITORS OF USP30 USP30, USP1, USP20 SLC6A5 2820/4885ALDH1A1 787/4885MAPK1 1265/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 SLC6A5 1585/4885ALDH1A1 779/4885MAPK1 264/4885

“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.