SCHEMBL1613587

SCHEMBL1613587

O=C(O)C=Cc1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
ALDH1A1 P00352 8/20 0.54
KDM4E B2RXH2 4/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
PABPC1 P11940 1/20 0.52
EIF4H Q15056 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GAA P10253 4/20 0.51
MET P08581 1/20 0.51
POLB P06746 4/20 0.50
MCL1 Q07820 1/20 0.50
APAF1 O14727 1/20 0.48
HK1 P19367 1/20 0.48

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
SCHEMBL12004153 1.00 MAPT (0.55) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL1613586 1.00 MAPT (0.55) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL4584118 0.91 MAPT (0.55) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5716830 0.84 MAOB (0.65) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL7065418 0.84 MAOB (0.65) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8909177 0.81 MET (0.48) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL8909174 0.81 MET (0.48) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5443427 0.80 MET (0.45) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL5443416 0.80 MET (0.45) MAPTALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL20739004 0.80 MAPT (0.55) MAPTALDH1A1KDM4ECYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436013-B2 Compounds and methods for treatment of alpha-1 antitrypsin deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-05-07 US claimed
US-20100076018-A1 Compounds and Methods for Treatment of Alpha-1 Antitrypsin Deficiency UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2010-03-25 US claimed
EP-2114141-A2 COMPOUNDS AND METHODS FOR TREATMENT OF ALPHA-1 ANTITRYPSIN DEFICIENCY University of Florida (US) 2009-11-11 EP claimed
WO-2008143633-A2 COMPOUNDS AND METHODS FOR TREATMENT OF ALPHA-1 ANTITRYPSIN DEFICIENCY UNIVERSITY OF FLORIDA (US) 2008-11-27 WO claimed
EP-0954596-B1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON INC (US) 2006-01-04 EP claimed
EP-1538214-A1 Enhanced production of taxanes by cell cultures of taxus species PHYTON, INC. (US) 2005-06-08 EP claimed
EP-0954596-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF $i(TAXUS) SPECIES PHYTON, INC. (US) 1999-11-10 EP claimed
WO-1997044476-A1 ENHANCED PRODUCTION OF TAXANES BY CELL CULTURES OF TAXUS SPECIES PHYTON, INC. (US) 1997-11-27 WO claimed
EP-2565245-B1 Moisture-proof material NITTO DENKO CORP (JP) 2018-07-25 EP disclosed
EP-2661431-B1 HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF PASK BIOENERGENIX (US) 2018-07-11 EP disclosed
US-9546303-B2 Moisture-proof material NITTO DENKO CORPORATION (JP) 2017-01-17 US disclosed
US-9073902-B2 Substituted quinoxaline carboxylic acid compounds for the inhibition of PASK BIOENERGENIX, LLC (US) 2015-07-07 US disclosed
US-20130337261-A1 MOISTURE-PROOF MATERIAL NITTO DENKO CORPORATION (JP) 2013-12-19 US disclosed
EP-2666836-A2 Moisture-proof material Nitto Denko Corporation (JP) 2013-11-27 EP disclosed
EP-0700396-A1 PIPERIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-03-13 EP disclosed
US-5478845-A Inhibit dopamine or 5-hydroxytryptamine receptor binding NOVO NORDISK A/S (DK) 1995-12-26 US disclosed
WO-1994027992-A1 PIPERIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-12-08 WO disclosed
WO-1994027994-A1 PIPERIDINE DERIVATIVES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1994-12-08 WO disclosed
US-4058607-A DIHALOVINYL DIALKYL PHOSPHATE, 1,3-BENZODIOXOLES AIRWICK INDUSTRIES, INC. (US) 1977-11-15 US disclosed
US-3962415-A Insecticide evaporator comprising DDVP with synergized benzodioxole compound as stabilizer AIRWICK INDUSTRIES, INC. (US) 1976-06-08 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 (1 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-20100076018-A1 Compounds and Methods for Treatment of Alpha-1 Antitrypsin Deficiency SERPINA2, SERPINB1, SERPINC1 MAPT 2391/4885ALDH1A1 202/4885KDM4E 4276/4885

“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.