SCHEMBL182622

SCHEMBL182622

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

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 2/20 0.56
SMN1; SMN2 Q16637 5/20 0.55
ALDH1A1 P00352 9/20 0.54
MAPT P10636 8/20 0.53
LMNA P02545 4/20 0.53
HPGD P15428 3/20 0.53
CYP2C19 P33261 2/20 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
NPSR1 Q6W5P4 1/20 0.53
MAPK1 P28482 3/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TP53 P04637 1/20 0.49

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 0.88 ALDH1A1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL27606455 0.86 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL27868404 0.85 MAPT (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL182652 0.84 MAPT (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL2698893 0.84 MEN1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL182524 0.83 PLA2G4B (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL11842385 0.83 RAB9A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL4261703 0.83 MAPT (0.51) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL7447406 0.83 MAPK1 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6960 0.83 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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
EP-2400968-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2016-09-28 EP disclosed
EP-2400968-B1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES REVIVA PHARMACEUTICALS INC (US) 2016-09-28 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
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 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 (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 RAB9A 2764/4885NPC1 2378/4885SMN1; SMN2 3008/4885
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents GRIK5, GAP43, GRIN2D RAB9A 2437/4885NPC1 3178/4885SMN1; SMN2 3263/4885
US-20100216783-A1 COMPOSITIONS, SYNTHESIS, AND METHODS OF UTILIZING ARYLPIPERAZINE DERIVATIVES GRIK5, HTR5A, KYNU RAB9A 3448/4885NPC1 3513/4885SMN1; SMN2 2929/4885

“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.