SCHEMBL21749999

SCHEMBL21749999

CC(=O)Nc1cncc2c1C(=O)OC2=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.40
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 4/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 2/20 0.39
GAA P10253 2/20 0.39
CASP3 P42574 1/20 0.37
CCNE2 O96020 6/20 0.35
CCNE1 P24864 6/20 0.35
CDK2 P24941 6/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.34
ADRA2A P08913 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
AHR P35869 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
SCHEMBL303302 0.77 MAOA (0.61) MAOAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29860722 0.77 MAOA (0.61) MAOAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15580925 0.77 MAOA (0.61) MAOAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3828974 0.73 MAOA (0.51) MAOAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21749984 0.73 ALDH1A1 (0.39) MAOAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL21749940 0.73 ALDH1A1 (0.46) MAOAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29860652 0.73 ALDH1A1 (0.46) MAOAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15580918 0.73 MAOA (0.39) MAOAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1245083 0.73 HPGD (0.47) ALDH1A1KDM4EHPGDCASP3SMN1; SMN2
SCHEMBL4959463 0.69 POLB (0.38) MAOAALDH1A1KDM4EHPGDHSD17B10

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
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-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
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
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 MAOA 981/4885ALDH1A1 489/4885KDM4E 2116/4885
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C MAOA 1222/4885ALDH1A1 773/4885KDM4E 1972/4885
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C MAOA 981/4885ALDH1A1 489/4885KDM4E 2116/4885
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C MAOA 1000/4885ALDH1A1 509/4885KDM4E 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.