SCHEMBL2073746

SCHEMBL2073746

O=[N+]([O-])c1cc(F)c(F)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 2/20 0.46
TDP1 Q9NUW8 3/20 0.42
ATM Q13315 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 5/20 0.41
HIF1A Q16665 2/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
PKM P14618 1/20 0.41
IDO1 P14902 1/20 0.41
TDO2 P48775 1/20 0.41
BLM P54132 1/20 0.41
CASP6 P55212 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL30040804 0.86 TDP1 (0.46) SNCATDP1ATMMEN1KMT2A
SCHEMBL16371062 0.86 TDP1 (0.46) SNCATDP1ATMMEN1KMT2A
SCHEMBL18531440 0.85 TDO2 (0.42) SNCATDP1ATMMEN1KMT2A
SCHEMBL18370840 0.85 ALDH1A1 (0.43) SNCATDP1ATMMEN1KMT2A
SCHEMBL17466058 0.85 MAPT (0.42) SNCATDP1ATMMEN1KMT2A
SCHEMBL29678067 0.83 SNCA (0.52) SNCATDP1MEN1KMT2AALDH1A1
SCHEMBL16022729 0.81 SNCA (0.50) SNCATDP1ALDH1A1HIF1AKDM4E
SCHEMBL6870230 0.80 TDP1 (0.42) SNCATDP1ATMMEN1KMT2A
SCHEMBL26343277 0.79 CYP1A2 (0.58) SNCATDP1ATMMEN1KMT2A
SCHEMBL4309305 0.78 TDP1 (0.46) SNCATDP1ATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3400228-B1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF TABOMEDEX BIOSCIENCES INC (US) 2022-04-13 EP disclosed
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2020-02-18 US disclosed
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2020-02-18 US disclosed
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2019-11-21 US disclosed
EP-3400228-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2018-11-14 EP disclosed
US-20180319809-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC 2018-11-08 US disclosed
US-10059718-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2018-08-28 US disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
US-20090227627-A1 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2009-09-10 US disclosed
WO-2009097278-A1 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 WO disclosed
US-20080275042-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline Derivatives for the Treatment of Infertility N.V. ORGANON (NL) 2008-11-06 US disclosed
EP-1881830-B1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY ORGANON NV (NL) 2008-10-08 EP disclosed
US-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2008-08-14 US disclosed
US-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2008-08-14 US disclosed
EP-1881830-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. Organon (NL) 2008-01-30 EP disclosed
WO-2007092854-A2 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 WO disclosed
WO-2007092854-A2 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 WO disclosed
WO-2006117368-A1 4-PHENYL-5-OXO-1,4,5,6,7,8-HEXAHYDROQUINOLINE DERIVATIVES THE TREATMENT OF INFERTILITY N.V. ORGANON (NL) 2006-11-09 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 (9 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-20180319809-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF MKNK2, CYP2J2, PTGS2 SNCA 4518/4885TDP1 4112/4885ATM 3068/4885
US-10059718-B2 Fused quadracyclic compounds, compositions and uses thereof MKNK2, CYP2J2, PTGS2 SNCA 4518/4885TDP1 4112/4885ATM 3068/4885
US-20080275042-A1 4-Phenyl-5-Oxo-1,4,5,6,7,8-Hexahydroquinoline Derivatives for the Treatment of Infertility CATSPER1, ABCB11, ACR SNCA 3428/4885TDP1 632/4885ATM 2568/4885
US-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 SNCA 204/4885TDP1 1230/4885ATM 1104/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 SNCA 3849/4885TDP1 3000/4885ATM 4225/4885
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof MKNK2, CYP2J2, PTGS2 SNCA 4518/4885TDP1 4112/4885ATM 3068/4885
US-20090227627-A1 6-SUBSTITUTED-THIO-2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, PSEN2, BACE1 SNCA 99/4885TDP1 450/4885ATM 551/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX SNCA 3095/4885TDP1 1894/4885ATM 4090/4885
US-20190352313-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 SNCA 3849/4885TDP1 3000/4885ATM 4225/4885

“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.