SCHEMBL17080253

SCHEMBL17080253

O=C(O)c1c(F)cc(F)c([N+](=O)[O-])c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA4 P22748 2/20 0.39
PKM P14618 1/20 0.38
TDP1 Q9NUW8 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CASP6 P55212 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CYP2C9 P11712 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
SCHEMBL4674060 0.85 CA1 (0.44) CA1CA2CA4PKMTDP1
SCHEMBL17042427 0.84 GPR35 (0.36) CA1CA2CA4PKMTDP1
SCHEMBL21981738 0.84 CA1 (0.38) CA1CA2CA4PKMTDP1
SCHEMBL17080266 0.80 SMN1; SMN2 (0.50) CA1CA2CA4PKMTDP1
SCHEMBL9126903 0.80 TDP1 (0.41) CA1CA2CA4TDP1ALDH1A1
SCHEMBL31021562 0.78 TDP1 (0.36) CA1CA2PKMTDP1L3MBTL1
SCHEMBL9556077 0.78 PKM (0.45) PKMTDP1CASP6ALDH1A1CYP1A2
SCHEMBL8994430 0.77 CA1 (0.48) CA1CA2CA4TDP1ALDH1A1
SCHEMBL3064052 0.76 MAPT (0.45) CA1CA2TDP1ALDH1A1MEN1
SCHEMBL345622 0.76 TDP1 (0.39) CA1CA2CA4TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024255697-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-12-19 WO disclosed
CN-114981267-B 3-Benzoyl-1H-pyrrolo [2,3-B ] pyridine derivatives as MKK4 inhibitors for the treatment of liver diseases 海帕瑞吉尼克斯股份有限公司 2024-11-08 CN disclosed
EP-4090659-B1 3-BENZOYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS MKK4 INHIBITORS FOR TREATING LIVER DISEASES HEPAREGENIX GMBH (DE) 2024-06-12 EP disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 US disclosed
US-20230088395-A1 3-BENZOYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS MKK4 INHIBITORS FOR TREATING LIVER DISEASES HEPAREGENIX GMBH (DE) 2023-03-23 US disclosed
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2018-09-13 US disclosed
EP-3349580-A1 HEPATITIS B CORE PROTEIN MODULATORS Assembly Biosciences, Inc. (US) 2018-07-25 EP disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
WO-2017048950-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2017-03-23 WO disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
US-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2017-01-19 US disclosed
EP-3116316-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS Indiana University Research And Technology Corporation (US) 2017-01-18 EP disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 WO disclosed
WO-2015138895-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-09-17 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 (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-20170015658-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 CA1 4808/4885CA2 4687/4885CA4 4787/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS CA1 4715/4885CA2 4707/4885CA4 4704/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS CA1 4715/4885CA2 4707/4885CA4 4704/4885
US-20180258084-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS CA1 4715/4885CA2 4707/4885CA4 4704/4885
US-20230088395-A1 3-BENZOYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS MKK4 INHIBITORS FOR TREATING LIVER DISEASES NR1H4, MAPK4, NR1H2 CA1 4711/4885CA2 4752/4885CA4 4691/4885

“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.