SCHEMBL17875233

SCHEMBL17875233

O=[N+]([O-])c1cc([N+](=O)[O-])c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.44
CYP3A4 P08684 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 8/20 0.44
GPR35 Q9HC97 3/20 0.43
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
GRIK1 P39086 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41

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
SCHEMBL4973651 0.83 GPR35 (0.55) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL8415102 0.83 TSHR (0.51) TDP1CYP3A4ALDH1A1TSHRGPR35
SCHEMBL1758439 0.83 ALDH1A1 (0.48) TDP1CYP3A4ALDH1A1MAPTMEN1
SCHEMBL8415105 0.83 TSHR (0.50) TDP1CYP3A4ALDH1A1MAPTTSHR
SCHEMBL11804756 0.83 ALDH1A1 (0.58) TDP1CYP3A4ALDH1A1MAPTALOX15
SCHEMBL11793674 0.83 ALDH1A1 (0.44) CYP3A4ALDH1A1MAPTTSHRGPR35
SCHEMBL11799394 0.83 GPR35 (0.50) TDP1CYP3A4ALDH1A1MAPTMEN1
SCHEMBL3366890 0.83 ALDH1A1 (0.47) TDP1CYP3A4ALDH1A1MAPTMEN1
SCHEMBL3366894 0.81 ALDH1A1 (0.50) TDP1CYP3A4ALDH1A1MAPTMEN1
SCHEMBL8688932 0.81 TSHR (0.55) TDP1CYP3A4ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119136667-A Ready-to-use plant treatment agent applicators, containers, and products UPL有限责任公司 2024-12-13 CN disclosed
US-9828413-B2 Vancomycin derivative, and preparation method and application thereof ACESYS PHARMA INC. (CN) 2017-11-28 US disclosed
US-9828413-B2 Vancomycin derivative, and preparation method and application thereof ACESYS PHARMA INC. (CN) 2017-11-28 US disclosed
US-20160200768-A1 VANCOMYCIN DERIVATIVE, AND PREPARATION METHOD AND APPLICATION THEREOF ACESYS PHARMA INC. (CN) 2016-07-14 US disclosed
US-20160200768-A1 VANCOMYCIN DERIVATIVE, AND PREPARATION METHOD AND APPLICATION THEREOF ACESYS PHARMA INC. (CN) 2016-07-14 US disclosed
EP-3037431-A1 VANCOMYCIN DERIVATIVE, AND PREPARATION METHOD AND APPLICATION THEREOF Acesys Pharma Inc. (CN) 2016-06-29 EP 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-20160200768-A1 VANCOMYCIN DERIVATIVE, AND PREPARATION METHOD AND APPLICATION THEREOF LIPA, HDLBP, CETP TDP1 4624/4885CYP3A4 221/4885ALDH1A1 2133/4885

“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.