SCHEMBL2481291

SCHEMBL2481291

O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCc1ccco1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 1.00
MAPT P10636 18/20 0.84
MEN1 O00255 4/20 0.84
KMT2A Q03164 4/20 0.84
SMN1; SMN2 Q16637 1/20 0.84
GAA P10253 5/20 0.75
CYP2C9 P11712 4/20 0.75
CYP2C19 P33261 4/20 0.75
CYP3A4 P08684 3/20 0.75
POLB P06746 1/20 0.75
HTR6 P50406 2/20 0.71
ALDH1A1 P00352 6/20 0.69
NPSR1 Q6W5P4 4/20 0.62
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.60
HTT P42858 1/20 0.60
TDP1 Q9NUW8 1/20 0.55
PTGDR Q13258 1/20 0.54

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
SCHEMBL2483987 0.88 MAPT (0.78) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1842697 0.86 MAPT (0.82) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2482192 0.83 MAPT (1.00) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1844140 0.82 MAPT (0.76) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1844602 0.82 MAPT (0.75) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1842281 0.81 MAPT (1.00) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2486781 0.81 MAPT (1.00) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1843743 0.81 MAPT (0.77) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1844134 0.81 MAPT (0.80) PKMMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL1843504 0.81 MAPT (0.74) PKMMAPTMEN1KMT2ASMN1; 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 21 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
CN-101133042-A Nitro-substituted phenyl-piperazine compounds, their preparation and use in medicaments ESTEVE LABOR DR (ES) 2008-02-27 CN 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
EP-1851210-B1 NITRO-SUBSTITUTED PHENYL-PIPERAZINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2011-10-19 EP disclosed
US-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-05-13 US disclosed
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-03-25 US disclosed
CN-101563106-A Combination of nmda- receptor ligand and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-10-21 CN disclosed
CN-101500611-A Combination of a cholinesterase inhibitor and a compound with 5-HT6 receptor affinity ESTEVE LABOR DR (ES) 2009-08-05 CN disclosed
EP-2081600-A1 COMBINATION OF NMDA- RECEPTOR LIGAND AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-07-29 EP disclosed
EP-2040755-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-01 EP 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-20100120747-A1 COMBINATION OF A CHOLINESTERASE INHIBITOR AND A COMPOUND WITH 5-HT6 RECEPTOR AFFINITY HTR6, AANAT, ACHE PKM 1983/4885MAPT 1416/4885MEN1 2263/4885
US-20100074955-A1 Combination of NMDA-Receptor Ligand and a Compound With 5-HT6 Receptor Affinity GRM6, GRIN3B, GRIN3A PKM 1656/4885MAPT 1966/4885MEN1 1091/4885
US-20080176854-A1 Nitro-Substituted Phenyl-Piperazine Compounds, Their Preparation and Use in Medicaments HTR6, HTR5A, P2RX5 PKM 882/4885MAPT 3000/4885MEN1 3555/4885

“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.