SCHEMBL2299287

SCHEMBL2299287

O=C(Nc1ccccc1)c1ccccc1/N=C/c1ccccc1F

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
HPGD P15428 7/20 0.74
KDM4E B2RXH2 7/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
RAB9A P51151 3/20 0.74
LMNA P02545 3/20 0.62
GAA P10253 2/20 0.61
POLB P06746 1/20 0.58
MEN1 O00255 7/20 0.54
KMT2A Q03164 7/20 0.54
NPC1 O15118 2/20 0.54
TDP1 Q9NUW8 1/20 0.53
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 2/20 0.46
TP53 P04637 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL2299289 1.00 ALDH1A1 (0.74) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL2300177 0.81 ALDH1A1 (0.76) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL2300179 0.81 ALDH1A1 (0.76) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL15616412 0.78 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL1421029 0.78 ALDH1A1 (0.76) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL1421030 0.78 ALDH1A1 (0.76) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL2304681 0.78 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL2304678 0.78 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL12386075 0.77 HPGD (0.68) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A
SCHEMBL2302287 0.76 KDM4E (0.73) ALDH1A1HPGDKDM4ESMN1; SMN2RAB9A

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 31 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-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-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
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-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-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
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
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-2009153665-A2 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2009-12-23 WO 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 (4 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 4453/4885HPGD 4737/4885KDM4E 1528/4885
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 4539/4885HPGD 4807/4885KDM4E 1212/4885
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 4539/4885HPGD 4807/4885KDM4E 1212/4885
US-20110201601-A1 INHIBITORS OF THE SHIGA TOXINS TRAFFICKING THROUGH THE RETROGRADE PATHWAY SLC47A2, GOLT1B, SLC47A1 ALDH1A1 3673/4885HPGD 2057/4885KDM4E 4730/4885

“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.