SCHEMBL11913683

SCHEMBL11913683

O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)Nc1cccc(O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 4/20 1.00
▸ MEN1 O00255 11/20 0.76
▸ KMT2A Q03164 11/20 0.76
▸ MAPT P10636 6/20 0.76
▸ HTT P42858 4/20 0.75
▸ SMN1; SMN2 Q16637 4/20 0.75
▸ PKM P14618 3/20 0.75
▸ MAPK1 P28482 2/20 0.75
▸ L3MBTL1 Q9Y468 1/20 0.75
▸ POLB P06746 3/20 0.68
▸ PAX8 Q06710 3/20 0.68
▸ LMNA P02545 2/20 0.68
▸ NPC1 O15118 1/20 0.68
▸ ALPL P05186 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ GAA P10253 1/20 0.65
▸ CYP2C9 P11712 1/20 0.65
▸ CYP2C19 P33261 1/20 0.65
▸ PLIN1 O60240 1/20 0.64
▸ ALDH1A1 P00352 1/20 0.64

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
SCHEMBL11918194 0.94 DDX3X (0.90) DDX3XMEN1KMT2AMAPTHTT
SCHEMBL11913684 0.91 DDX3X (0.84) DDX3XMEN1KMT2AMAPTHTT
SCHEMBL11918193 0.91 DDX3X (0.84) DDX3XMEN1KMT2AMAPTHTT
SCHEMBL11913691 0.91 MEN1 (0.89) DDX3XMEN1KMT2AMAPTHTT
SCHEMBL12008751 0.89 DDX3X (0.80) DDX3XMEN1KMT2AMAPTHTT
SCHEMBL12008752 0.86 KMT2A (0.82) DDX3XMEN1KMT2AMAPTHTT
SCHEMBL17319558 0.85 DDX3X (0.74) DDX3XMEN1KMT2AMAPTHTT
SCHEMBL11899368 0.85 DDX3X (1.00) DDX3XMEN1KMT2AMAPTHTT
SCHEMBL11899366 0.85 DDX3X (1.00) DDX3XMEN1KMT2AMAPTHTT
SCHEMBL11899367 0.85 DDX3X (1.00) DDX3XMEN1KMT2AMAPTHTT

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-9206412-B2 Thioxothiazolidine inhibitors COLORADO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-12-08 — — US disclosed
US-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2012-08-09 — — US disclosed
US-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2012-08-09 — — US disclosed
WO-2011039735-A2 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF CONSIGLIO NAZIONALE DELLE RICERCHE (IT) 2011-04-07 — — 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-20120202814-A1 COMPOUNDS WITH DDX3 INHIBITORY ACTIVITY AND USES THEREOF DDX3X, DDX21, DDX39B DDX3X 1/4885MEN1 1855/4885KMT2A 2610/4885

“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.

Send feedback