SCHEMBL528528

SCHEMBL528528

O=C1CCCN(c2cccc3c2C(=O)NC3=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.39
▸ PARP1 P09874 3/20 0.38
▸ ALDH1A1 P00352 9/20 0.37
▸ KDM4E B2RXH2 6/20 0.37
▸ GSK3B P49841 6/20 0.37
▸ GSK3A P49840 2/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ GAA P10253 1/20 0.35
▸ MEN1 O00255 4/20 0.35
▸ KMT2A Q03164 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ MAPT P10636 3/20 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
SCHEMBL20267338 0.75 GSK3B (0.55) ALDH1A1GSK3BGSK3ANPC1RAB9A
SCHEMBL28522247 0.74 MAPT (0.57) PARP1ALDH1A1KDM4EGSK3BNPC1
Hydrochloric Acid SCHEMBL15282882 0.73 MAPT (0.55) PARP1ALDH1A1KDM4EGSK3BNPC1
SCHEMBL11033491 0.70 CES1 (0.35) CES1ALDH1A1NPC1RAB9ALMNA
SCHEMBL454828 0.70 POLB (0.51) PARP1ALDH1A1KDM4EGSK3BLMNA
SCHEMBL11066854 0.69 SMN1; SMN2 (0.41) ALDH1A1KDM4ENPC1RAB9ALMNA
SCHEMBL11229952 0.67 TLR9 (0.50) PARP1ALDH1A1KDM4EGSK3BGSK3A
SCHEMBL29010702 0.67 CES1 (0.53) CES1PARP1ALDH1A1KDM4EGSK3B
SCHEMBL16754925 0.66 GSK3B (0.62) PARP1ALDH1A1KDM4EGSK3BGSK3A
SCHEMBL18660318 0.64 PARP1 (0.45) PARP1ALDH1A1KDM4EGSK3BGSK3A

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3848363-B1 TRICYCLIC SUBSTITUTED PIPERIDINE DIONE COMPOUND MEDSHINE DISCOVERY INC (CN) 2023-07-19 — — EP disclosed
EP-3214081-B1 ISOINDOLINE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF KANGPU BIOPHARMACEUTICALS LTD (CN) 2020-07-08 — — EP disclosed
EP-2885303-B1 DEUTERATED BARICITINIB CONCERT PHARMACEUTICALS INC (US) 2018-12-26 — — EP disclosed
US-20150336927-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-11-26 — — US disclosed
US-20150336927-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. 2015-11-26 — — US disclosed
US-9045453-B2 Substituted dioxopiperidinyl phthalimide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-06-02 — — US disclosed
US-9045453-B2 Substituted dioxopiperidinyl phthalimide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-06-02 — — US disclosed
US-9045453-B2 Substituted dioxopiperidinyl phthalimide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2015-06-02 — — US disclosed
CN-102245023-B Substituted dioxopiperidinyl phthalimide derivatives CONCERT PHARMACEUTICALS INC 2015-05-13 — — CN disclosed
CN-102245023-B Substituted dioxopiperidinyl phthalimide derivatives CONCERT PHARMACEUTICALS INC 2015-05-13 — — CN disclosed
WO-2012015986-A2 SUBSTITUTED DIOXOPIPERIDINYL PHTALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-02-02 — — WO disclosed
WO-2012015986-A2 SUBSTITUTED DIOXOPIPERIDINYL PHTALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS INC. (US) 2012-02-02 — — WO disclosed
US-20110288126-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-11-24 — — US disclosed
US-20110288126-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2011-11-24 — — US disclosed
CN-102245023-A Substituted dioxopiperidinyl phthalimide derivatives CONCERT PHARMACEUTICALS INC 2011-11-16 — — CN disclosed
CN-102245023-A Substituted dioxopiperidinyl phthalimide derivatives CONCERT PHARMACEUTICALS INC 2011-11-16 — — CN disclosed
EP-2373165-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIES CONCERT PHARMACEUTICALS, INC. (US) 2011-10-12 — — EP disclosed
EP-2373165-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIES CONCERT PHARMACEUTICALS, INC. (US) 2011-10-12 — — EP disclosed
WO-2010056344-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIES CONCERT PHARMACEUTICALS INC. (US) 2010-05-20 — — WO disclosed
WO-2010056344-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIES CONCERT PHARMACEUTICALS INC. (US) 2010-05-20 — — WO 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 (2 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-20110288126-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES NFATC1, PDCD11, IL5 CES1 3764/4885PARP1 1989/4885ALDH1A1 1306/4885
US-20150336927-A1 SUBSTITUTED DIOXOPIPERIDINYL PHTHALIMIDE DERIVATIVES NFATC1, PDCD11, IL5 CES1 3764/4885PARP1 1989/4885ALDH1A1 1306/4885

“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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