SCHEMBL972079

SCHEMBL972079

O=[N+]([O-])c1c(F)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
EPAS1 Q99814 2/20 0.40
ABCC8 Q09428 3/20 0.37
KCNJ11 Q14654 3/20 0.37
VEGFA P15692 1/20 0.37
TSHR P16473 2/20 0.36
GPR35 Q9HC97 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
KIF11 P52732 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.33

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
SCHEMBL1995800 0.88 TDP1 (0.46) ALDH1A1TDP1EPAS1ABCC8KCNJ11
SCHEMBL240574 0.81 TDP1 (0.52) ALDH1A1TDP1TSHRGPR35MAPT
SCHEMBL1459395 0.81 TSHR (0.53) ALDH1A1TDP1EPAS1ABCC8KCNJ11
SCHEMBL31285851 0.79 EPAS1 (0.46) ALDH1A1TDP1EPAS1ABCC8KCNJ11
SCHEMBL504875 0.79 EPAS1 (0.40) ALDH1A1TDP1EPAS1ABCC8KCNJ11
SCHEMBL29745147 0.79 EPAS1 (0.40) ALDH1A1TDP1EPAS1ABCC8KCNJ11
SCHEMBL6429 0.79 EPAS1 (0.46) ALDH1A1TDP1EPAS1ABCC8KCNJ11
SCHEMBL2792217 0.79 GPR35 (0.56) ALDH1A1TDP1EPAS1ABCC8KCNJ11
SCHEMBL3520821 0.79 ALDH1A1 (0.64) ALDH1A1TDP1EPAS1TSHRMAPT
SCHEMBL27986034 0.79 EPAS1 (0.40) ALDH1A1TDP1EPAS1ABCC8KCNJ11

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111848598-B Heterocyclic compound, application thereof and composition containing same 健艾仕生物医药有限公司 2024-12-10 CN disclosed
US-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME GENEROS BIOPHARMA LTD. (CN) 2023-03-30 US disclosed
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors UCB Biopharma SRL (BE) 2021-10-05 US disclosed
CN-108290860-B Iminotetrahydropyrimidinone derivatives as PLASMEPSIN V inhibitors UCB生物制药有限责任公司 2021-08-10 CN disclosed
CN-111848598-A Heterocyclic ring-containing compound, application thereof and composition containing heterocyclic ring-containing compound 健艾仕生物医药有限公司 2020-10-30 CN disclosed
WO-2020216378-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME 健艾仕生物医药有限公司 2020-10-29 WO disclosed
US-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS CELLTECH R&D LIMITED (GB) 2020-09-10 US disclosed
EP-3380464-B1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SRL (BE) 2020-05-27 EP disclosed
WO-2019049061-A1 5-(1 H-BENZO[D]IMIDAZO-2-YL)-PYRIDIN-2-AMINE AND 5-(3H-IMIDAZO[4,5-B]PYRIDIN-6-YL)-PYRIDIN-2-AMINE DERIVATIVES AS C-MYC AND P300/CBP HISTONE ACETYLTRANSFERASE INHIBITORS FOR TREATING CANCER GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-03-14 WO disclosed
EP-3380464-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB Biopharma SPRL (BE) 2018-10-03 EP disclosed
CN-108290860-A Imino group tetrahydropyrimidine ketone derivatives as PLASMEPSIN V inhibitor UCB生物制药私人有限公司 2018-07-17 CN disclosed
WO-2017089453-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS UCB BIOPHARMA SPRL (BE) 2017-06-01 WO disclosed
EP-2509954-A1 4 -OXO- 1H -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2012-10-17 EP disclosed
US-20110201794-A1 Disaccharides for drug discovery ALCHEMIA LIMITED (AU) 2011-08-18 US disclosed
WO-2011072241-A1 4 -OXO- IH -QUINOLINE- 3 - CARBOXAMIDES AS MODULATORS OF ATP -BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-06-16 WO disclosed
US-7875707-B2 combinatorial libraries; lipid solubility; solid phase synthesis ALCHEMIA LIMITED (AU) 2011-01-25 US disclosed
US-20060121530-A1 Disaccharides for drug discovery VAST BIOSCIENCE PTY LIMITED (AU) 2006-06-08 US disclosed
EP-1501844-A1 DISACCHARIDES FOR DRUG DISCOVERY Alchemia Limited (AU) 2005-02-02 EP disclosed
WO-2003093286-A1 DISACCHARIDES FOR DRUG DISCOVERY ALCHEMIA LIMITED (AU) 2003-11-13 WO disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 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 (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-20230099441-A1 HETEROCYCLIC COMPOUND, APPLICATION THEREOF, AND COMPOSITION CONTAINING SAME STAT5A, STAT5B, JAK2 ALDH1A1 3812/4885TDP1 4627/4885EPAS1 3907/4885
US-20200283416-A1 IMINOTETRAHYDROPYRIMIDINONE DERIVATIVES AS PLASMEPSIN V INHIBITORS PEPD, ADAM17, ANPEP ALDH1A1 3365/4885TDP1 4208/4885EPAS1 1275/4885
US-20110201794-A1 Disaccharides for drug discovery UGCG, STT3A, DDOST ALDH1A1 2021/4885TDP1 4095/4885EPAS1 1226/4885
US-11136310-B2 Iminotetrahydropyrimidinone derivatives as plasmepsin V inhibitors PEPD, ADAM17, ANPEP ALDH1A1 3365/4885TDP1 4208/4885EPAS1 1275/4885
US-20060121530-A1 Disaccharides for drug discovery UGCG, STT3A, DDOST ALDH1A1 2021/4885TDP1 4095/4885EPAS1 1226/4885

“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.