SCHEMBL21943742

SCHEMBL21943742

Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.59
▸ DDB1 Q16531 13/20 0.59
▸ IKZF3 Q9UKT9 4/20 0.59
▸ TNF P01375 3/20 0.59
▸ IL1B P01584 3/20 0.59
▸ IKZF1 Q13422 2/20 0.59
▸ TBXA2R P21731 1/20 0.59
▸ BRD4 O60885 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL18712198 1.00 CRBN (0.59) CRBNDDB1IKZF3TNFIL1B
SCHEMBL21207999 0.88 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL24712763 0.86 CRBN (0.47) CRBNDDB1IKZF3TNFIL1B
SCHEMBL19387907 0.86 CRBN (0.59) CRBNDDB1IKZF3TNFIL1B
SCHEMBL21107417 0.85 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL21896472 0.83 CRBN (0.47) CRBNDDB1IKZF3TNFIL1B
SCHEMBL22606726 0.82 CRBN (0.47) CRBNDDB1IKZF3TNFIL1B
SCHEMBL23142992 0.82 CRBN (0.44) CRBNDDB1IKZF3TNFIL1B
SCHEMBL22566731 0.82 CRBN (0.44) CRBNDDB1IKZF3TNFIL1B
SCHEMBL20759891 0.82 CRBN (0.44) CRBNDDB1IKZF3TNFIL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256470-B1 METHODS TO INDUCE TARGETED PROTEIN DEGRADATION THROUGH BIFUNCTIONAL MOLECULES DANA FARBER CANCER INST INC (US) 2023-07-26 — — EP disclosed
WO-2022111526-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2022-06-02 — — WO disclosed
WO-2021022076-A1 MOLECULES AND METHODS RELATED TO TREATMENT OF UNCONTROLLED CELLULAR PROLIFERATION ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2021-02-04 — — WO disclosed
US-10829472-B2 Crystalline 4-amino-2-(2,6-dioxopiperidine-3-yl)isoindoline-1,3-dione hemihydrate, compositions and methods of use thereof CELGENE CORPORATION (US) 2020-11-10 — — US disclosed
US-20200140408-A1 CRYSTALLINE 4-AMINO-2-(2,6-DIOXOPIPERIDINE-3-YL)ISOINDOLINE-1,3-DIONE HEMIHYDRATE, COMPOSITIONS AND METHODS OF USE THEREOF CELGENE CORP (US) 2020-05-07 — — US disclosed
EP-3076973-B1 COMBINATIONS OF HISTONE DEACETYLASE INHIBITORS AND IMMUNOMODULATORY DRUGS ACETYLON PHARMACEUTICALS INC (US) 2020-04-29 — — EP 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-10829472-B2 Crystalline 4-amino-2-(2,6-dioxopiperidine-3-yl)isoindoline-1,3-dione hemihydrate, compositions and methods of use thereof QDPR, HTR3D, IAPP CRBN 3178/4885DDB1 1657/4885IKZF3 3275/4885
US-20200140408-A1 CRYSTALLINE 4-AMINO-2-(2,6-DIOXOPIPERIDINE-3-YL)ISOINDOLINE-1,3-DIONE HEMIHYDRATE, COMPOSITIONS AND METHODS OF USE THEREOF QDPR, HTR3D, IAPP CRBN 3178/4885DDB1 1657/4885IKZF3 3275/4885

“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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