Sugi Predict

Sugi Predict / Compounds / SCHEMBL1421048

SCHEMBL1421048

SCHEMBL1421048

O=C(Nc1ccccc1)c1ccccc1N=Cc1cccc(Br)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.76
▸ KDM4E B2RXH2 8/20 0.76
▸ POLB P06746 2/20 0.76
▸ HPGD P15428 8/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.64
▸ GAA P10253 2/20 0.64
▸ RAB9A P51151 2/20 0.58
▸ LMNA P02545 2/20 0.53
▸ P2RX1 P51575 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ AKR1C3 P42330 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ MAOA P21397 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ PLEC Q15149 1/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL1421046 1.00 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL1421030 0.85 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL1421029 0.85 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL19524583 0.85 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL2302287 0.81 KDM4E (0.73) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL2302296 0.81 KDM4E (0.73) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL19524613 0.80 ALDH1A1 (0.61) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL2300177 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL2300179 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2
SCHEMBL2299268 0.77 ALDH1A1 (0.67) ALDH1A1KDM4EPOLBHPGDSMN1; SMN2

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 19 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-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 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-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 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-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 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-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-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 4453/4885KDM4E 1528/4885POLB 4540/4885
US-20140073633-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY SLC47A2, GOLT1B, SLC47A1 ALDH1A1 3673/4885KDM4E 4730/4885POLB 3137/4885
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 4539/4885KDM4E 1212/4885POLB 4562/4885
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 4539/4885KDM4E 1212/4885POLB 4562/4885
US-20110201601-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY SLC47A2, GOLT1B, SLC47A1 ALDH1A1 3673/4885KDM4E 4730/4885POLB 3137/4885

“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.