SCHEMBL1421045

SCHEMBL1421045

COc1cccc(C2=Nc3ccccc3NC(=O)C2)c1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TP53 P04637 1/20 0.53
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL5869015 0.86 NPC1 (0.69) ALDH1A1NPC1
SCHEMBL1420580 0.86 ALDH1A1 (0.60) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1424406 0.83 ALDH1A1 (0.72) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5869243 0.83 NPC1 (0.62) ALDH1A1NPC1
SCHEMBL1420797 0.81 ALDH1A1 (1.00) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL1423439 0.81 ALDH1A1 (0.72) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL2301504 0.81 ALDH1A1 (0.72) ALDH1A1NPC1RAB9ASMN1; SMN2TP53
SCHEMBL5563695 0.79 NPC1 (0.73) ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20655198 0.79 CYP3A4 (0.72)
SCHEMBL11629062 0.78 ALDH1A1 (0.59) ALDH1A1NPC1RAB9ASMN1; SMN2TP53

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 23 patents — showing the first 20. 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-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-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
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-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
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-2297088-A2 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Énergie Atomique et aux Énergies Alternatives (FR) 2011-03-23 EP 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
WO-2009153457-A2 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 (FR) 2009-12-23 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 (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 4453/4885NPC1 680/4885RAB9A 418/4885
US-20140073633-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY SLC47A2, GOLT1B, SLC47A1 ALDH1A1 3673/4885NPC1 126/4885RAB9A 74/4885
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 4539/4885NPC1 692/4885RAB9A 451/4885
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 4539/4885NPC1 692/4885RAB9A 451/4885
US-20110201601-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY SLC47A2, GOLT1B, SLC47A1 ALDH1A1 3673/4885NPC1 126/4885RAB9A 74/4885

“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.