SCHEMBL361897

SCHEMBL361897

O=C(C(=O)[N+](=O)[O-])c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 14/20 0.59
CES1 P23141 13/20 0.59
PRMT1 Q99873 1/20 0.47
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
DAO P14920 1/20 0.44
TSHR P16473 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.42

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
SCHEMBL10747173 0.79 CES2 (0.47) CES2CES1PRMT1TSHRALDH1A1
SCHEMBL28946791 0.78 CES2 (0.46) CES2CES1PRMT1CA2CA4
SCHEMBL946802 0.76 CES1 (0.52) CES2CES1PRMT1CA2CA4
Benzil SCHEMBL27888964 0.76 CES1 (0.96) CES2CES1CA2TSHRALDH1A1
SCHEMBL7260785 0.75 PRMT1 (0.54) CES2CES1PRMT1CA2CA4
SCHEMBL14935500 0.75 PRMT1 (0.54) CES2CES1PRMT1CA2CA4
SCHEMBL10995027 0.75 PRMT1 (0.54) CES2CES1PRMT1CA2CA4
SCHEMBL27447659 0.75 CES2 (0.52) CES2CES1PRMT1CA2CA4
Benzil SCHEMBL7142843 0.74 CES2 (1.00) CES2CES1CA2CA4DAO
Benzil SCHEMBL9517636 0.74 CES2 (1.00) CES2CES1CA2CA4DAO

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021006346-A1 METHOD FOR PROMOTING CELL PROLIFERATION, AND METHOD FOR PREPARING CELL CLUSTER 国立大学法人大阪大学 2021-01-14 WO disclosed
EP-2628481-B1 Trisubstituted heterocycles as replication inhibitors of hepatitis C virus HCV ABBVIE BAHAMAS LTD (BS) 2016-02-24 EP disclosed
US-20150218194-A1 Anti-Viral Compounds ABBVIE INC. (US) 2015-08-06 US disclosed
US-9006387-B2 Anti-viral compounds ABBVIE INC. (US) 2015-04-14 US disclosed
EP-2853531-A2 Antiviral compounds AbbVie Bahamas Ltd. (BS) 2015-04-01 EP disclosed
EP-2455376-B1 Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) ABBVIE BAHAMAS LTD (BS) 2014-11-26 EP disclosed
US-20140315792-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES 2014-10-23 US disclosed
CN-101636081-B Substituted phenylamidines and the use thereof as fungicides BAYER CROPSCIENCE AG 2014-09-03 CN disclosed
EP-2337781-B1 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION ABBVIE BAHAMAS LTD (BS) 2014-07-23 EP disclosed
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 EP disclosed
WO-2012007728-A2 TOXOIDING METHOD THE SECRETARY OF STATE FOR DEFENCE (GB) 2012-01-19 WO disclosed
EP-2368890-A1 Hepatitis C virus inhibitors Abbott Laboratories (US) 2011-09-28 EP disclosed
EP-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
US-20100317568-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-12-16 US disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed
US-20100029013-A1 Methods for Detecting Asymmetric Dimethylarginine in a Biological Sample NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-02-04 US disclosed
US-7611844-B2 Methods for detecting asymmetric dimethylarginine in a biological sample BOARD OF TRUSTEES OF THE LELAND STANFORD JR. UNIVERSITY (US) 2009-11-03 US disclosed
US-20040214252-A1 Methods for detecting asymmetric dimethylarginine in a biological sample NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-10-28 US disclosed
WO-2004046314-A2 METHODS FOR DETECTING ASYMMETRIC DIMETHYLARGININE IN A BIOLOGICAL SAMPLE THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-06-03 WO disclosed
WO-1989001333-A1 IMIDAZO[1,2-b]PYRIDAZINES THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 1989-02-23 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-20100317568-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CES2 626/4885CES1 396/4885PRMT1 2863/4885
US-20100029013-A1 Methods for Detecting Asymmetric Dimethylarginine in a Biological Sample ADM2, PADI3, PADI4 CES2 955/4885CES1 460/4885PRMT1 8/4885
US-20140315792-A1 ANTI-VIRAL COMPOUNDS HAVCR2, EIF2AK2, MAVS CES2 626/4885CES1 396/4885PRMT1 2863/4885
US-20150218194-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CES2 626/4885CES1 396/4885PRMT1 2863/4885

“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.