SCHEMBL1655419

SCHEMBL1655419

O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)Nc1ccccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DDX3X O00571 6/20 1.00
▸ KMT2A Q03164 7/20 0.63
▸ MAPT P10636 6/20 0.63
▸ MEN1 O00255 6/20 0.63
▸ PAX8 Q06710 4/20 0.60
▸ HTT P42858 4/20 0.60
▸ SMN1; SMN2 Q16637 4/20 0.60
▸ LMNA P02545 2/20 0.60
▸ ALPL P05186 1/20 0.58
▸ CYP3A4 P08684 1/20 0.58
▸ GAA P10253 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ POLB P06746 3/20 0.57
▸ MAPK1 P28482 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL1655418 1.00 DDX3X (1.00) DDX3XKMT2AMAPTMEN1PAX8
SCHEMBL1655416 1.00 DDX3X (1.00) DDX3XKMT2AMAPTMEN1PAX8
SCHEMBL1656560 0.90 DDX3X (0.81) DDX3XKMT2AMAPTMEN1HTT
SCHEMBL1656557 0.90 DDX3X (0.81) DDX3XKMT2AMAPTMEN1HTT
SCHEMBL1656559 0.90 DDX3X (0.81) DDX3XKMT2AMAPTMEN1HTT
SCHEMBL11899367 0.87 DDX3X (1.00) DDX3XKMT2AMAPTMEN1PAX8
SCHEMBL11899366 0.87 DDX3X (1.00) DDX3XKMT2AMAPTMEN1PAX8
SCHEMBL11899368 0.87 DDX3X (1.00) DDX3XKMT2AMAPTMEN1PAX8
SCHEMBL11913686 0.85 DDX3X (0.80) DDX3XKMT2AMAPTMEN1PAX8
SCHEMBL12008750 0.85 DDX3X (0.80) DDX3XKMT2AMAPTMEN1PAX8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 1/4885KMT2A 2610/4885MAPT 4074/4885

“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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