SCHEMBL1422939

SCHEMBL1422939

O=C1CC(c2cccc([N+](=O)[O-])c2)=Nc2ccccc2N1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
PGR P06401 1/20 0.57
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
TDP2 O95551 3/20 0.49
TP53 P04637 1/20 0.49
NPC1 O15118 1/20 0.48
GRM2 Q14416 1/20 0.47

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
SCHEMBL2299377 0.86 PGR (0.56) ALDH1A1PGRMAPTMEN1KMT2A
SCHEMBL5869157 0.86
SCHEMBL5869053 0.83 PGR (0.58) PGRTDP2GRM2
SCHEMBL5868936 0.83 CYP3A4 (0.62) PGRRAB9ASMN1; SMN2TDP2
SCHEMBL14744813 0.81 GRM2 (0.50) ALDH1A1PGRRAB9ASMN1; SMN2NPC1
SCHEMBL1420797 0.80 ALDH1A1 (1.00) ALDH1A1MAPTRAB9AMEN1KMT2A
SCHEMBL1423439 0.80 ALDH1A1 (0.72) ALDH1A1PGRRAB9ASMN1; SMN2TP53
SCHEMBL1424406 0.80 ALDH1A1 (0.72) ALDH1A1RAB9ASMN1; SMN2TP53NPC1
SCHEMBL2301504 0.80 ALDH1A1 (0.72) ALDH1A1RAB9ASMN1; SMN2TP53NPC1
SCHEMBL1423287 0.79 MAPT (0.48) ALDH1A1PGRMAPTRAB9AKDM4E

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-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-2296757-A2 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2011-03-23 EP 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
WO-2009153665-A2 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-12-23 WO 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 ALDH1A1 4453/4885PGR 3753/4885MAPT 1849/4885
US-20140073633-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY SLC47A2, GOLT1B, SLC47A1 ALDH1A1 3673/4885PGR 4544/4885MAPT 1756/4885
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 ALDH1A1 4539/4885PGR 3375/4885MAPT 1644/4885
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 ALDH1A1 4539/4885PGR 3375/4885MAPT 1644/4885
US-20110201601-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY SLC47A2, GOLT1B, SLC47A1 ALDH1A1 3673/4885PGR 4544/4885MAPT 1756/4885

“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.