SCHEMBL5116998

SCHEMBL5116998

O=C(NCc1ccco1)N1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.68
ALDH1A1 P00352 10/20 0.59
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
REN P00797 1/20 0.52
MAPK1 P28482 1/20 0.52
MAPT P10636 1/20 0.52
EPHX2 P34913 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL5465155 0.85 KMT2A (0.57) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8276081 0.80 HTT (0.62) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL21910886 0.78 HTT (0.50) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8275719 0.78 HTT (0.60) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL14703237 0.77 HTT (0.55) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL8275912 0.77 HTT (0.58) HTTALDH1A1KDM4ELMNAMAPT
SCHEMBL13597188 0.77 MEN1 (0.52) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL14703467 0.75 HTT (0.56) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL4861713 0.75 CHRM2 (0.61) HTTALDH1A1KDM4EMEN1KMT2A
SCHEMBL24575916 0.75 EPHX2 (0.83) HTTALDH1A1KDM4EMEN1KMT2A

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 HTT 768/4885ALDH1A1 230/4885KDM4E 1910/4885

“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.