SCHEMBL2299377

SCHEMBL2299377

O=C1CC(c2cccc([N+](=O)[O-])c2)=Nc2cc(Br)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.56
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP2 O95551 3/20 0.46
GRM2 Q14416 1/20 0.45
MMP13 P45452 1/20 0.45
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CCNB1 P14635 1/20 0.44
GSK3B P49841 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL1422939 0.86 ALDH1A1 (0.65) PGRALDH1A1MEN1KMT2ATDP2
SCHEMBL1420606 0.86 ALDH1A1 (0.56) ALDH1A1KMT2AGRM2
SCHEMBL14744813 0.84 GRM2 (0.50) PGRALDH1A1GRM2
SCHEMBL12426242 0.82 ALDH1A1 (0.69) ALDH1A1GRM2
SCHEMBL2302587 0.81 RAB9A (0.57) ALDH1A1GRM2
SCHEMBL1424180 0.81 GRM2 (0.58) PGRALDH1A1GRM2
SCHEMBL1420580 0.79 ALDH1A1 (0.60) ALDH1A1GRM2
SCHEMBL1421229 0.79 GRM2 (0.58) GRM2
SCHEMBL5331383 0.78 PGR (0.86) PGRMEN1KMT2ATDP2MMP13
SCHEMBL5869157 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US claimed
US-20140073633-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENE ALT. (FR) 2014-03-13 US claimed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 US claimed
US-20110201601-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY COMMISSAR. A L'ENERG. ATOM. ET AUX ENERG. ALTERN. (FR) 2011-08-18 US claimed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 EP claimed
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 EP disclosed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 US disclosed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US disclosed
US-9034868-B2 Inhibitors of the shiga toxins trafficking through the retrograde pathway COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-05-19 US disclosed
US-20140073633-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENE ALT. (FR) 2014-03-13 US disclosed
US-8609732-B2 Inhibitors of the Shiga toxins trafficking through the retrograde pathway COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2013-12-17 US disclosed
WO-2013123217-A1 SMALL MOLECULES THAT ENHANCE THE ACTIVITY OF OLIGONUCLEOTIDES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2013-08-22 WO disclosed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 US disclosed
US-20110201601-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY COMMISSAR. A L'ENERG. ATOM. ET AUX ENERG. ALTERN. (FR) 2011-08-18 US disclosed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 EP 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-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action HAVCR2, MAVS, ANTXR2 PGR 3753/4885ALDH1A1 4453/4885MEN1 3020/4885
US-20140073633-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY SLC47A2, GOLT1B, SLC47A1 PGR 4544/4885ALDH1A1 3673/4885MEN1 2962/4885
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION HAVCR2, MAVS, ANTXR2 PGR 3375/4885ALDH1A1 4539/4885MEN1 2389/4885
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action HAVCR2, MAVS, ANTXR2 PGR 3375/4885ALDH1A1 4539/4885MEN1 2389/4885
US-20110201601-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY SLC47A2, GOLT1B, SLC47A1 PGR 4544/4885ALDH1A1 3673/4885MEN1 2962/4885

“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.