Fluoride Ion

Fluoride Ion

SCHEMBL6345

CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C.[F-].[F-].[F-].[F-].[F-].[F-]

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.49
KEAP1 Q14145 1/20 0.49
TSHR P16473 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KMT2A Q03164 6/20 0.42
HDAC3 O15379 3/20 0.42
HDAC4 P56524 3/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC7 Q8WUI4 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC10 Q969S8 3/20 0.42
HDAC11 Q96DB2 3/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC9 Q9UKV0 3/20 0.42
HDAC5 Q9UQL6 3/20 0.42
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
POLB P06746 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
SCHEMBL29399678 0.98 SLC9A1 (0.50) SLC9A1KEAP1TSHRNPSR1RXFP1
Bromide SCHEMBL30556235 0.97 SLC9A1 (0.49) SLC9A1KEAP1TSHRNPSR1RXFP1
Hydrochloric Acid SCHEMBL3737085 0.97 SLC9A1 (0.49) SLC9A1KEAP1TSHRNPSR1RXFP1
Phosphine SCHEMBL30298295 0.97 SLC9A1 (0.49) SLC9A1KEAP1TSHRNPSR1RXFP1
Hydrochloric Acid SCHEMBL30591144 0.97 SLC9A1 (0.49) SLC9A1KEAP1TSHRNPSR1RXFP1
SCHEMBL1497619 0.92 SLC9A1 (0.45) SLC9A1KEAP1TSHRNPSR1RXFP1
SCHEMBL28432280 0.92 SLC9A1 (0.45) SLC9A1KEAP1TSHRNPSR1RXFP1
SCHEMBL29352246 0.92 SLC9A1 (0.45) SLC9A1KEAP1TSHRNPSR1RXFP1
Phosphoric Acid SCHEMBL19406124 0.92 SLC9A1 (0.41) SLC9A1KEAP1TSHRNPSR1RXFP1
SCHEMBL7270165 0.91 SLC9A1 (0.44) SLC9A1KEAP1TSHRNPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461175-B2 1-pyrazolo[4,3-c]isoquinoline derivatives, preparation thereof and therapeutic use thereof SANOFI-AVENTIS (FR) 2013-06-11 US disclosed
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-10 US disclosed
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF SANOFI-AVENTIS (FR) 2011-06-23 US disclosed
US-7960373-B2 2-alkoxy-3,4,5-trihydroxyalkylamide-benzothiazepines preparation thereof, compositions containing them and use thereof SANOFI-AVENTIS (FR) 2011-06-14 US disclosed
EP-1107964-B1 ISOQUINOLINE DERIVATIVES WITH ANGIOGENESIS INHIBITING ACTIVITY NOVARTIS AG (CH) 2010-03-03 EP disclosed
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
EP-1603566-B1 USE OF ISOQUINOLINE DERIVATIVES FOR TREATING CANCER AND MAP KINASE RELATED DISEASES NOVARTIS AG (CH) 2009-01-21 EP disclosed
US-7329660-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2008-02-12 US disclosed
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases FINK CYNTHIA A 2007-03-15 US disclosed
US-20060217388-A1 Phthalazine derivatives for treating inflammatory diseases BOLD GUIDO 2006-09-28 US disclosed
US-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US disclosed
EP-0686143-B1 UNSATURATE AMINO COMPOUNDS FOR USE AS ANTICANCER AND ANTIPROTOZOIC AGENT CIBA GEIGY AG (CH) 1998-08-12 EP disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
WO-1998003476-A1 ANILINOPEPTIDE DERIVATIVES NOVARTIS AG (CH) 1998-01-29 WO disclosed
WO-1997040029-A1 ANTIVIRALLY ACTIVE HETEROCYCLIC AZAHEXANE DERIVATIVES NOVARTIS AG (CH) 1997-10-30 WO disclosed
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
US-5643878-A TREATMENT OF RETROVIRAL DISEASES LIKE AIDS CIBA-GEIGY CORPORATION (US) 1997-07-01 US disclosed
US-5627215-A Unsaturate amino compounds for use as anticancer and antiprotozoic agent CIBA-GEIGY CORPORATION (US) 1997-05-06 US disclosed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed
US-5409927-A Inhibition of hiv aspartate protease CIBA-GEIGY CORPORATION (US) 1995-04-25 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 (5 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-20060217388-A1 Phthalazine derivatives for treating inflammatory diseases KDR, NR2E3, FLT1 SLC9A1 4801/4885KEAP1 701/4885TSHR 1324/4885
US-20120115898-A1 1-PYRAZOLO[4,3-C]ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF CBR3, CYP4F3, HCCS SLC9A1 1409/4885KEAP1 357/4885TSHR 1076/4885
US-20090093459-A1 2-ALKOXY-3,4,5-TRIHYDROXYALKYLAMIDE-BENZOTHIAZEPINES PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF TPH2, CYP4B1, HTR3C SLC9A1 3350/4885KEAP1 556/4885TSHR 3088/4885
US-20110152236-A1 AZETIDINE POLYSUBSTITUTED COMPOUNDS, PREPARATION THEREOF, AND THERAPEUTIC APPLICATION THEREOF C1R, TACR1, C1S SLC9A1 61/4885KEAP1 1120/4885TSHR 795/4885
US-20070060582-A1 1,4-Disubstituted isoquinilone derivatives as raf-kinase inhibitors useful for the treatment of proliferative diseases BRAF, RAF1, NRAS SLC9A1 3527/4885KEAP1 267/4885TSHR 2713/4885

“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.