SCHEMBL13856450

SCHEMBL13856450

CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)c(=O)n2C1c1ccc(OC)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
MEN1 O00255 9/20 0.64
KMT2A Q03164 9/20 0.64
PTPN22 Q9Y2R2 6/20 0.63
DUSP3 P51452 5/20 0.63
PTPN1 P18031 1/20 0.63
PPM1A P35813 1/20 0.63
PTPN9 P43378 1/20 0.63
PTPN5 P54829 1/20 0.63
PTPN18 Q99952 1/20 0.63
PTPN7 P35236 3/20 0.60
DUSP6 Q16828 1/20 0.60
DNMT1 P26358 2/20 0.59
PSMD14 O00487 1/20 0.59
BLM P54132 3/20 0.58
POLB P06746 3/20 0.57
CACNA1B Q00975 2/20 0.57
APBA1 Q02410 2/20 0.57
L3MBTL1 Q9Y468 2/20 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
SCHEMBL14104065 0.94 ALDH1A1 (0.70) ALDH1A1NPSR1MEN1KMT2APTPN22
SCHEMBL13856568 0.94 ALDH1A1 (0.68) ALDH1A1NPSR1MEN1KMT2APTPN22
SCHEMBL13856484 0.93 ALDH1A1 (0.69) ALDH1A1NPSR1MEN1KMT2APTPN22
SCHEMBL13856659 0.93 PTPN22 (0.69) NPSR1MEN1KMT2APTPN22DUSP3
SCHEMBL13856565 0.92 ALDH1A1 (0.66) ALDH1A1NPSR1MEN1KMT2APTPN22
SCHEMBL13856661 0.91 PTPN22 (0.75) ALDH1A1NPSR1MEN1KMT2APTPN22
SCHEMBL13856602 0.90 PTPN22 (0.69) MEN1KMT2APTPN22DUSP3PTPN1
SCHEMBL13856618 0.89 MEN1 (0.73) MEN1KMT2APTPN22DUSP3PTPN1
SCHEMBL13856503 0.88 PTPN22 (0.70) ALDH1A1NPSR1MEN1KMT2APTPN22
SCHEMBL13856539 0.88 PTPN22 (0.70) ALDH1A1NPSR1MEN1KMT2APTPN22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090131401-A1 Transcription factor modulating compounds and methods of use thereof PARATEK PHARMACEUTICALS, INC. (US) 2009-05-21 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 4100/4885MEN1 4225/4885

“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.