SCHEMBL21750002

SCHEMBL21750002

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.38
TSHR P16473 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PKM P14618 1/20 0.37
CDK2 P24941 1/20 0.37
DTYMK P23919 1/20 0.37
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CASP1 P29466 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALB P02768 1/20 0.35

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
SCHEMBL6217472 0.87 ALDH1A1 (0.41) ALDH1A1TDP1HIF1ACA1CA2
SCHEMBL30515532 0.87 ALDH1A1 (0.41) ALDH1A1TDP1HIF1ACA1CA2
SCHEMBL11669542 0.87 TDP1 (0.47) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL18306112 0.84 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL4960492 0.84 ALDH1A1 (0.42) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL28252852 0.82 ALB (0.47) ALDH1A1TDP1CYP3A4ALOX15HIF1A
SCHEMBL6204506 0.81 CES2 (0.45) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL3086799 0.81 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL543918 0.81 TSHR (0.51) ALDH1A1TDP1CYP3A4ALOX15TSHR
SCHEMBL27961043 0.81 AKR1C2 (0.41) ALDH1A1TDP1CYP3A4ALOX15TSHR

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 11 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
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
CN-108101886-A Piperidine-2,6-diones derivative and its purposes in ulcerative colitis is treated 天津和美生物技术有限公司 2018-06-01 CN disclosed
CN-108101887-A Piperidine-2,6-diones derivative and its purposes in Crohn's disease is treated 天津和美生物技术有限公司 2018-06-01 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 ALDH1A1 489/4885TDP1 492/4885CYP3A4 13/4885
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C ALDH1A1 773/4885TDP1 497/4885CYP3A4 17/4885
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C ALDH1A1 489/4885TDP1 492/4885CYP3A4 13/4885
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C ALDH1A1 509/4885TDP1 504/4885CYP3A4 13/4885

“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.