SCHEMBL3360529

SCHEMBL3360529

O=[N+]([O-])c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.56
CNR2 P34972 1/20 0.54
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PAX8 Q06710 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.46
EPHX1 P07099 1/20 0.46
CHRM2 P08172 1/20 0.45
PTPRF P10586 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN11 Q06124 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPHX2 P34913 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43

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
Bromide SCHEMBL28496465 0.98 HDAC6 (0.55) HDAC6CNR2ALDH1A1MEN1KMT2A
SCHEMBL15029073 0.78 HDAC6 (0.49) HDAC6CNR2ALDH1A1MEN1KMT2A
SCHEMBL3364001 0.78 L3MBTL1 (0.45) HDAC6ALDH1A1MEN1KMT2APAX8
SCHEMBL15009244 0.77 CNR2 (0.62) HDAC6CNR2ALDH1A1MEN1KMT2A
SCHEMBL15010266 0.77 CNR2 (0.58) HDAC6CNR2ALDH1A1MEN1KMT2A
SCHEMBL11456976 0.76 ALDH1A1 (0.50) ALDH1A1LOXL2NPSR1NPC1RAB9A
SCHEMBL11446820 0.76 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APAX8L3MBTL1
SCHEMBL15928038 0.76 LOXL2 (0.46) ALDH1A1MEN1KMT2ALOXL2EPHX1
SCHEMBL3362801 0.76 HDAC6 (0.63) HDAC6CNR2ALDH1A1MEN1KMT2A
SCHEMBL15013342 0.76 CNR2 (0.65) HDAC6CNR2ALDH1A1MEN1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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-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
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
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US 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-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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 WO disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 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
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

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 HDAC6 1145/4885CNR2 665/4885ALDH1A1 4453/4885
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 HDAC6 1240/4885CNR2 668/4885ALDH1A1 4539/4885
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 HDAC6 581/4885CNR2 4661/4885ALDH1A1 3831/4885
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 HDAC6 1240/4885CNR2 668/4885ALDH1A1 4539/4885

“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.