SCHEMBL182524

SCHEMBL182524

CCOC(=O)COc1ccc(OCCCCBr)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4B P0C869 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.53
▸ MAPT P10636 5/20 0.53
▸ LMNA P02545 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ NTSR1 P30989 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ TLR9 Q9NR96 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ S1PR4 O95977 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ S1PR1 P21453 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PRSS1 P07477 3/20 0.44

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
SCHEMBL10920881 0.84 ALDH1A1 (0.57) PLA2G4BALDH1A1MAPTLMNAHPGD
SCHEMBL182622 0.83 RAB9A (0.56) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL14038390 0.83 ALDH1A1 (0.55) PLA2G4BALDH1A1MAPTLMNAHPGD
SCHEMBL27828649 0.82 ALDH1A1 (0.57) PLA2G4BALDH1A1MAPTLMNAHPGD
SCHEMBL4173572 0.81 PLA2G4B (0.47) PLA2G4BALDH1A1MAPTLMNAHPGD
SCHEMBL6813683 0.81 LMNA (0.46) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL27606455 0.81 ALDH1A1 (0.53) PLA2G4BALDH1A1MAPTLMNAHPGD
SCHEMBL6960 0.80 ALDH1A1 (0.56) ALDH1A1MAPTLMNAHPGDNPSR1
SCHEMBL27868404 0.80 MAPT (0.49) PLA2G4BALDH1A1MAPTLMNAHPGD
SCHEMBL18155122 0.79 ALDH1A1 (0.52) ALDH1A1MAPTLMNAHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975862-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2018-05-22 — — US disclosed
US-9975862-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2018-05-22 — — US disclosed
US-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2017-11-16 — — US disclosed
US-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2017-11-16 — — US disclosed
US-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME REVIVA PHARMACEUTICALS INC (US) 2017-11-16 — — US disclosed
US-9604944-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2017-03-28 — — US disclosed
US-9604944-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2017-03-28 — — US disclosed
US-9604944-B2 Arylpiperazine derivatives and methods of utilizing same REVIVA PHARMACEUTICALS, INC. (US) 2017-03-28 — — US disclosed
CN-106045936-A COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES 雷维瓦药品公司 2016-10-26 — — CN disclosed
EP-2400968-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2016-09-28 — — EP disclosed
EP-2400968-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES Reviva Pharmaceuticals, Inc. (US) 2012-01-04 — — EP disclosed
EP-2299814-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS Reviva Pharmaceuticals, Inc. (US) 2011-03-30 — — EP disclosed
WO-2010099502-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2010-09-02 — — WO disclosed
WO-2010099502-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. (US) 2010-09-02 — — WO disclosed
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. 2010-08-26 — — US disclosed
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS, INC. 2010-08-26 — — US disclosed
WO-2009154993-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2009-12-23 — — WO disclosed
WO-2009154993-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF USING PIPERAZINE BASED ANTIPSYCHOTIC AGENTS REVIVA PHARMACEUTICALS, INC. (US) 2009-12-23 — — WO disclosed
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2009-12-03 — — US disclosed
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2009-12-03 — — US 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-20170327477-A1 ARYLPIPERAZINE DERIVATIVES AND METHODS OF UTILIZING SAME GRIK5, HTR5A, GRIK2 PLA2G4B 1566/4885ALDH1A1 163/4885MAPT 2251/4885
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents GRIK5, GAP43, GRIN2D PLA2G4B 2384/4885ALDH1A1 860/4885MAPT 692/4885
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES GRIK5, HTR5A, KYNU PLA2G4B 2087/4885ALDH1A1 623/4885MAPT 1726/4885

“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.

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