SCHEMBL21749937

SCHEMBL21749937

O=C(O)c1cncc(Br)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 4/20 0.40
KMT2A Q03164 3/20 0.40
AKR1C3 P42330 2/20 0.36
AKR1C4 P17516 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM6B O15054 1/20 0.35
KDM4A O75164 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LCK P06239 1/20 0.34
FYN P06241 1/20 0.34

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
SCHEMBL4061073 0.86 HCAR2 (0.46) HCAR2POLBKDM4EKMT2AAKR1C3
SCHEMBL29954221 0.86 HCAR2 (0.37) HCAR2POLBKDM4EKMT2AAKR1C3
SCHEMBL1171212 0.84 KDM4E (0.47) HCAR2POLBKDM4EKMT2AAKR1C3
SCHEMBL28811169 0.81 ATM (0.42) POLBKDM4EKMT2AALDH1A1MEN1
SCHEMBL29860483 0.81 ATM (0.42) POLBKDM4EKMT2AALDH1A1MEN1
SCHEMBL659061 0.80 HCAR2 (0.42) HCAR2POLBKDM4EKMT2AAKR1C3
SCHEMBL15334246 0.78 AKR1C3 (0.50) HCAR2POLBKDM4EKMT2AAKR1C3
Nitrous Acid SCHEMBL28696829 0.78 HCAR2 (0.41) HCAR2POLBKDM4EKMT2AALDH1A1
SCHEMBL16694995 0.77 HCAR2 (0.39) HCAR2POLBKDM4EKMT2AAKR1C3
SCHEMBL21825962 0.77 HDAC3 (0.41) HCAR2POLBKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-103788070-B The inhibitor class polymers of DPP 4 南京华威医药科技开发有限公司 2017-10-20 CN disclosed
CN-103788070-A DPP-4 inhibitor polymer NANJING HUAWE MEDICAL TECHNOLOGY DEV CO LTD 2014-05-14 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 HCAR2 990/4885POLB 1556/4885KDM4E 2116/4885
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C HCAR2 1302/4885POLB 1689/4885KDM4E 1972/4885
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C HCAR2 990/4885POLB 1556/4885KDM4E 2116/4885
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C HCAR2 999/4885POLB 1611/4885KDM4E 2116/4885

“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.