SCHEMBL543239

SCHEMBL543239

COC(=O)c1ccc(F)c([N+](=O)[O-])c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ABL1 P00519 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
NPC1 O15118 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
PDGFRB P09619 1/20 0.39
FGFR1 P11362 1/20 0.39
PDGFRA P16234 1/20 0.39
FLT1 P17948 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL27797779 0.87 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL23647704 0.86 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2AABL1
SCHEMBL28722677 0.84 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AABL1
SCHEMBL27862571 0.84 TSHR (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL15398667 0.84 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL2426533 0.83 KDM4E (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL27694834 0.83 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2AABL1
SCHEMBL28722120 0.83 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1MEN1KMT2AABL1
SCHEMBL28404963 0.83 GAA (0.46) SMN1; SMN2ALDH1A1MEN1KMT2ATDP1
SCHEMBL543918 0.82 TSHR (0.51) ALDH1A1MEN1KMT2ATDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2023-04-18 US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 US disclosed
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2023-01-19 US disclosed
CN-110291065-B Novel isoindoline derivative, pharmaceutical composition and application thereof 康朴生物医药技术(上海)有限公司 2022-08-19 CN disclosed
US-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-24 US disclosed
US-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-24 US disclosed
US-8357688-B2 Substituted imidazo[1,5-a]quinoxalin-4(5H)-ones as PDE9 inhibitors ASTELLAS PHARMA INC. (JP) 2013-01-22 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
EP-2404922-A1 QUINOXALINE COMPOUNDS Astellas Pharma Inc. (JP) 2012-01-11 EP disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
US-20110319385-A1 QUINOXALINE COMPOUND ASTELLAS PHARMA INC. (JP) 2011-12-29 US disclosed
WO-2010101230-A1 QUINOXALINE COMPOUNDS アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
CN-101687810-A Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL 2010-03-31 CN disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP 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 (8 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-11337964-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C SMN1; SMN2 3496/4885ALDH1A1 489/4885MEN1 4125/4885
US-20230019129-A1 HEPATITIS B CORE PROTEIN ALLOSTERIC MODULATORS HAVCR2, MAVS, FABP1 SMN1; SMN2 4496/4885ALDH1A1 4382/4885MEN1 4861/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS SMN1; SMN2 4557/4885ALDH1A1 4316/4885MEN1 4852/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS SMN1; SMN2 4557/4885ALDH1A1 4316/4885MEN1 4852/4885
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C SMN1; SMN2 3496/4885ALDH1A1 489/4885MEN1 4125/4885
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH SMN1; SMN2 1317/4885ALDH1A1 1431/4885MEN1 191/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS SMN1; SMN2 4557/4885ALDH1A1 4316/4885MEN1 4852/4885
US-20110319385-A1 QUINOXALINE COMPOUND PDE9A, PDE5A, PDE3A SMN1; SMN2 2187/4885ALDH1A1 1344/4885MEN1 2870/4885

“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.