SCHEMBL21749950

SCHEMBL21749950

CCOc1cc(/C=N/O)ncc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.47
▸ PKM P14618 2/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HPGD P15428 4/20 0.43
▸ TSHR P16473 3/20 0.43
▸ GAA P10253 2/20 0.43
▸ HTT P42858 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ AMY1A P0DUB6 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 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
SCHEMBL21749951 1.00 ALDH1A1 (0.47) ALDH1A1PKMMAPK1CYP1A2CYP3A4
SCHEMBL23963014 0.86 AMY1A (0.42) ALDH1A1PKMMAPK1CYP1A2CYP3A4
SCHEMBL21750003 0.79 LMNA (0.45) ALDH1A1MAPK1TSHRGAASMN1; SMN2
SCHEMBL21761474 0.79 GAA (0.41) MAPK1TSHRGAASMN1; SMN2AMY1A
SCHEMBL29861038 0.79 LMNA (0.45) ALDH1A1MAPK1TSHRGAASMN1; SMN2
SCHEMBL9915502 0.78 ALDH1A1 (0.44) ALDH1A1HPGDTSHRGAAHTT
SCHEMBL20168391 0.74 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4EALOX15L3MBTL1
SCHEMBL20168390 0.74 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4EALOX15L3MBTL1
SCHEMBL30444556 0.74 KDM4E (0.38) ALDH1A1SMN1; SMN2KDM4EALOX15L3MBTL1
SCHEMBL4940997 0.73 GAA (0.64) ALDH1A1PKMMAPK1CYP1A2CYP3A4

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 5 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
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

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 489/4885PKM 758/4885MAPK1 727/4885
US-20200061033-A1 NOVEL ISOINDOLINE DERIVATIVE, A PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C ALDH1A1 773/4885PKM 1017/4885MAPK1 642/4885
US-11628161-B2 Isoindoline derivative, pharmaceutical composition and use thereof PDE4A, PDE4B, PDE4C ALDH1A1 489/4885PKM 758/4885MAPK1 727/4885
US-20220152002-A1 ISOINDOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE THEREOF PDE4A, PDE4B, PDE4C ALDH1A1 509/4885PKM 779/4885MAPK1 769/4885

“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.

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