SCHEMBL1174501

SCHEMBL1174501

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
PRMT1 Q99873 1/20 0.43
POLB P06746 3/20 0.41
MAPK1 P28482 2/20 0.41
VCAM1 P19320 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
PTPN1 P18031 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
TSHR P16473 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
SRD5A2 P31213 1/20 0.39

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
SCHEMBL10995027 0.85 PRMT1 (0.54) ALDH1A1CES2CES1PRMT1POLB
SCHEMBL7260785 0.85 PRMT1 (0.54) ALDH1A1CES2CES1PRMT1POLB
SCHEMBL14935500 0.85 PRMT1 (0.54) ALDH1A1CES2CES1PRMT1POLB
SCHEMBL28789945 0.82 CES2 (0.46) ALDH1A1CES2CES1PRMT1POLB
SCHEMBL2184443 0.80 ALDH1A1 (0.44) ALDH1A1CES2CES1PRMT1POLB
SCHEMBL6832635 0.80 CES2 (0.44) ALDH1A1CES2CES1PRMT1POLB
SCHEMBL6832632 0.80 CES2 (0.44) ALDH1A1CES2CES1PRMT1POLB
SCHEMBL2345993 0.78 CES2 (0.43) ALDH1A1CES2CES1PRMT1POLB
SCHEMBL5166975 0.77 PRMT1 (0.47) ALDH1A1CES2CES1PRMT1POLB
SCHEMBL27711048 0.77 PRMT1 (0.47) ALDH1A1CES2CES1PRMT1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4453248-A1 COMPOSITION AND METHOD FOR AMPLIFYING NUCLEIC ACID SEQUENCES Bforcure (FR) 2024-10-30 EP disclosed
WO-2023118693-A1 COMPOSITION AND METHOD FOR AMPLIFYING NUCLEIC ACID SEQUENCES Bforcure (FR) 2023-06-29 WO disclosed
US-7888363-B2 1-Cyclopentyl-3-methyl-2-(2-pyridyl)indole-5-amino/thio/carbonyl derivatives; hepatitis C virus infection; synergistic with another inhibitor of HCV polymerase or immunomodulatory agent such as interferons BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-15 US disclosed
US-20070142380-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-06-21 US disclosed
US-7223785-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-05-29 US disclosed
EP-1587787-A1 VIRAL POLYMERASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2005-10-26 EP disclosed
US-20040171626-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-02 US disclosed
WO-2004065367-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 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-20040171626-A1 Viral polymerase inhibitors POLM, MED1, POLR2H ALDH1A1 1928/4885CES2 2774/4885CES1 1029/4885
US-20070142380-A1 Viral Polymerase Inhibitors POLM, POLR2H, POLR2A ALDH1A1 1556/4885CES2 1470/4885CES1 588/4885

“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.