SCHEMBL5116644

SCHEMBL5116644

NCCC(=O)NCc1ccco1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.71
ALDH1A1 P00352 7/20 0.71
POLB P06746 5/20 0.71
L3MBTL1 Q9Y468 3/20 0.71
MAPT P10636 2/20 0.71
KDM4E B2RXH2 1/20 0.71
PTPN7 P35236 1/20 0.71
HSD17B10 Q99714 1/20 0.71
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
NPC1 O15118 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2C9 P11712 1/20 0.57
RAB9A P51151 1/20 0.57
APAF1 O14727 1/20 0.57
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57

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
SCHEMBL14511323 0.88 ALDH1A1 (0.68) HPGDALDH1A1POLBL3MBTL1MAPT
SCHEMBL19726938 0.88 HPGD (0.73) HPGDALDH1A1POLBL3MBTL1MAPT
SCHEMBL21630176 0.86 HPGD (0.71) HPGDALDH1A1POLBL3MBTL1MAPT
SCHEMBL29410065 0.85 ALDH1A1 (0.74) HPGDALDH1A1POLBL3MBTL1MAPT
SCHEMBL11479230 0.85 HPGD (0.69) HPGDALDH1A1POLBL3MBTL1MAPT
SCHEMBL2926521 0.85 ALDH1A1 (0.69) HPGDALDH1A1POLBL3MBTL1MAPT
SCHEMBL2115850 0.83 HPGD (1.00) HPGDALDH1A1POLBL3MBTL1MAPT
SCHEMBL28180601 0.83 HPGD (0.68) HPGDALDH1A1POLBL3MBTL1MAPT
SCHEMBL6289033 0.82 ALDH1A1 (0.70) HPGDALDH1A1POLBL3MBTL1MAPT
SCHEMBL9912447 0.82 ALDH1A1 (0.70) HPGDALDH1A1POLBL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CELGENE CORPORATION 2008-03-13 US claimed
WO-2007136640-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLE-1,3-DIONE CELGENE CORPORATION (US) 2007-11-29 WO claimed
US-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione CELGENE CORPORATION 2008-03-13 US disclosed
WO-2007136640-A2 PROCESSES FOR THE PREPARATION OF SUBSTITUTED 2-(2,6-DIOXOPIPERIDIN-3-YL)ISOINDOLE-1,3-DIONE CELGENE CORPORATION (US) 2007-11-29 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 (1 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-20080064876-A1 Process for the preparation of substituted 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione TNF, DHPS, IDO1 HPGD 175/4885ALDH1A1 230/4885POLB 3060/4885

“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.