SCHEMBL13856484

SCHEMBL13856484

CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)c(=O)n2C1c1ccc(OC)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.69
NPSR1 Q6W5P4 3/20 0.69
PTPN22 Q9Y2R2 3/20 0.62
MEN1 O00255 12/20 0.61
KMT2A Q03164 12/20 0.61
CTDSP1 Q9GZU7 2/20 0.60
POLB P06746 3/20 0.57
PSMD14 O00487 1/20 0.57
DNMT1 P26358 1/20 0.57
DUSP3 P51452 3/20 0.56
PTPN7 P35236 2/20 0.56
DUSP6 Q16828 1/20 0.56
BLM P54132 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 2/20 0.55
USP2 O75604 1/20 0.55
PKM P14618 1/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL13856450 0.93 ALDH1A1 (0.70) ALDH1A1NPSR1PTPN22MEN1KMT2A
SCHEMBL13856630 0.93 MEN1 (0.65) ALDH1A1NPSR1PTPN22MEN1KMT2A
SCHEMBL13856568 0.92 ALDH1A1 (0.68) ALDH1A1NPSR1PTPN22MEN1KMT2A
SCHEMBL13856583 0.91 MEN1 (0.74) ALDH1A1NPSR1PTPN22MEN1KMT2A
SCHEMBL13856565 0.90 ALDH1A1 (0.66) ALDH1A1NPSR1PTPN22MEN1KMT2A
SCHEMBL13856552 0.89 PTPN22 (0.69) ALDH1A1NPSR1PTPN22MEN1KMT2A
SCHEMBL13856661 0.88 PTPN22 (0.75) ALDH1A1NPSR1PTPN22MEN1KMT2A
SCHEMBL13856789 0.88 CDC25B (0.67) ALDH1A1NPSR1PTPN22MEN1KMT2A
SCHEMBL13856539 0.88 PTPN22 (0.70) ALDH1A1NPSR1PTPN22MEN1KMT2A
SCHEMBL14104065 0.87 ALDH1A1 (0.70) ALDH1A1NPSR1PTPN22MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436031-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2013-05-07 US disclosed
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 US disclosed
US-7405235-B2 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2008-07-29 US 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-20090131401-A1 Transcription factor modulating compounds and methods of use thereof JUN, CREBBP, TFEB ALDH1A1 3948/4885NPSR1 4100/4885PTPN22 4669/4885

“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.