SCHEMBL21749965

SCHEMBL21749965

O=C(O)c1c(F)ccc([N+](=O)[O-])c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CASP6 P55212 2/20 0.47
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DTYMK P23919 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
VCAM1 P19320 1/20 0.42
HCAR3 P49019 1/20 0.40

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
SCHEMBL3826317 0.88 TDP1 (0.62) TDP1L3MBTL1CASP6TSHRCA1
SCHEMBL633629 0.87 TDP1 (0.46) TDP1L3MBTL1CASP6ATMALDH1A1
SCHEMBL29197041 0.87 TDP1 (0.50) TDP1L3MBTL1CASP6ATMALDH1A1
SCHEMBL29154301 0.85 TDP1 (0.45) TDP1L3MBTL1CASP6ATMALDH1A1
SCHEMBL913380 0.84 TDP1 (0.47) TDP1L3MBTL1CASP6ATMALDH1A1
SCHEMBL21435035 0.84 TDP1 (0.47) TDP1L3MBTL1CASP6ATMALDH1A1
SCHEMBL1448267 0.84 TDP1 (0.56) TDP1L3MBTL1CASP6ATMALDH1A1
SCHEMBL1448258 0.84 TDP1 (0.47) TDP1L3MBTL1CASP6ATMALDH1A1
SCHEMBL31146201 0.84 TDP1 (0.56) TDP1L3MBTL1CASP6ATMALDH1A1
SCHEMBL1201983 0.84 TDP1 (0.44) TDP1L3MBTL1CASP6ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568945-A1 HALOPHTHALIMIDE COMPOUNDS AND METHODS OF USE AGAINST TBI, INFLAMMATORY DISORDER, AUTOIMMUNE DISORDER, NEURODEGENERATIVE DISEASE OR VIRAL INFECTION The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2025-06-18 EP disclosed
WO-2024035626-A1 HALOPHTHALIMIDE COMPOUNDS AND METHODS OF USE AGAINST TBI, INFLAMMATORY DISORDER, AUTOIMMUNE DISORDER, NEURODEGENERATIVE DISEASE OR VIRAL INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-02-15 WO disclosed
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2023-04-18 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-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2022-05-19 US disclosed
EP-3590924-B1 NOVEL ISOINDOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-27 EP disclosed
EP-3590924-B1 NOVEL ISOINDOLINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2021-10-27 EP disclosed
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS, LTD. (CN) 2020-02-27 US disclosed
CN-110291065-A A kind of new isoindoline derivative, its pharmaceutical composition and application 康朴生物医药技术(上海)有限公司 2019-09-27 CN 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 (4 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 TDP1 492/4885L3MBTL1 4735/4885CASP6 391/4885
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C TDP1 497/4885L3MBTL1 4772/4885CASP6 474/4885
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C TDP1 492/4885L3MBTL1 4735/4885CASP6 391/4885
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C TDP1 504/4885L3MBTL1 4742/4885CASP6 384/4885

“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.