SCHEMBL2483750

SCHEMBL2483750

CN1CCN(c2ccc([N+](=O)[O-])c(NC(=O)c3ccccc3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.67
MAPT P10636 5/20 0.65
HTR6 P50406 6/20 0.64
GAA P10253 2/20 0.63
WDR5 P61964 1/20 0.63
MAPK1 P28482 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
RECQL P46063 1/20 0.55

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
SCHEMBL3119843 0.90 MAPT (0.62) SIRT6MAPTGAAMAPK1L3MBTL1
SCHEMBL7937307 0.88 ALDH1A1 (0.65) SIRT6MAPTMAPK1L3MBTL1ALDH1A1
SCHEMBL25318094 0.87 MAPT (0.72) SIRT6MAPTHTR6MAPK1L3MBTL1
SCHEMBL1845227 0.81 MAPT (0.70) SIRT6MAPTHTR6MAPK1L3MBTL1
SCHEMBL28672076 0.81 SIRT6 (1.00) SIRT6MAPTHTR6GAAWDR5
SCHEMBL28511225 0.81 MAPT (0.60) SIRT6MAPTHTR6MAPK1L3MBTL1
SCHEMBL30059203 0.81 MAPT (0.60) SIRT6MAPTHTR6MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL1845124 0.80 MAPT (0.69) SIRT6MAPTHTR6MAPK1L3MBTL1
SCHEMBL1840936 0.80 ALDH1A1 (0.64) MAPTMAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28676274 0.80 SIRT6 (0.83) SIRT6MAPTHTR6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1851210-B1 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2011-10-19 EP claimed
US-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2008-07-24 US claimed
EP-1851210-A2 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-07 EP claimed
WO-2006069808-A2 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO claimed
EP-1676842-A1 Nitro-substituted phenyl-piperazine compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-05 EP claimed
US-11459308-B2 Broad spectrum inhibitors of filoviruses MICROBIOTIX, INC. (US) 2022-10-04 US disclosed
US-11459308-B2 Broad spectrum inhibitors of filoviruses MICROBIOTIX, INC. (US) 2022-10-04 US disclosed
EP-3548034-A1 BROAD-SPECTRUM INHIBITORS OF FILOVIRUSES Microbiotix, Inc. (US) 2019-10-09 EP disclosed
US-20190292165-A1 BROAD SPECTRUM INHIBITORS OF FILOVIRUSES MICROBIOTIX, INC. (US) 2019-09-26 US disclosed
US-20190292165-A1 BROAD SPECTRUM INHIBITORS OF FILOVIRUSES MICROBIOTIX, INC. (US) 2019-09-26 US disclosed
WO-2018106667-A1 BROAD-SPECTRUM INHIBITORS OF FILOVIRUSES MICROBIOTIX, INC. (US) 2018-06-14 WO disclosed
WO-2018106667-A1 BROAD-SPECTRUM INHIBITORS OF FILOVIRUSES MICROBIOTIX, INC. (US) 2018-06-14 WO disclosed
US-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments LABORATORIOS DEL DR. ESTEVE S.A (ES) 2008-07-24 US disclosed
WO-2008034815-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-27 WO disclosed
EP-1902733-A1 Combination of a NMDA-receptor ligand and a compound with 5-HT6 receptor affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-03-26 EP disclosed
CN-101133042-A Nitro-substituted phenyl-piperazine compounds, their preparation and use in medicaments ESTEVE LABOR DR (ES) 2008-02-27 CN disclosed
WO-2007147883-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-12-27 WO disclosed
EP-1851210-A2 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2007-11-07 EP disclosed
WO-2006069808-A2 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-06 WO disclosed
EP-1676842-A1 Nitro-substituted phenyl-piperazine compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2006-07-05 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 (3 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-11459308-B2 Broad spectrum inhibitors of filoviruses NPC1L1, NPC1, GBA1 SIRT6 3063/4885MAPT 3677/4885HTR6 4498/4885
US-20190292165-A1 BROAD SPECTRUM INHIBITORS OF FILOVIRUSES NPC1L1, NPC1, GBA1 SIRT6 3063/4885MAPT 3677/4885HTR6 4498/4885
US-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments HTR6, HTR5A, P2RX5 SIRT6 159/4885MAPT 3000/4885HTR6 1/4885

“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.