SCHEMBL2594586

SCHEMBL2594586

C=CCOC(=O)C(CS)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 6/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 10/20 0.43
MAPK1 P28482 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 3/20 0.42
GAA P10253 3/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
KMT2A Q03164 3/20 0.41
HCAR3 P49019 1/20 0.40
MEN1 O00255 2/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MITF O75030 1/20 0.38

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
SCHEMBL2594587 1.00 ALDH1A1 (0.44) ALDH1A1TDP1POLBMAPTMAPK1
SCHEMBL1700747 0.81 CRHBP (0.53) ALDH1A1TDP1MAPTMAPK1SMN1; SMN2
SCHEMBL1700749 0.81 CRHBP (0.53) ALDH1A1TDP1MAPTMAPK1SMN1; SMN2
SCHEMBL6715102 0.79 CRHBP (0.48) ALDH1A1TDP1POLBMAPTMAPK1
SCHEMBL6715106 0.79 CRHBP (0.48) ALDH1A1TDP1POLBMAPTMAPK1
SCHEMBL6715110 0.78 CRHBP (0.47) ALDH1A1TDP1POLBMAPTMAPK1
SCHEMBL11664242 0.75 TDP1 (0.46) ALDH1A1TDP1POLBMAPTMAPK1
SCHEMBL12152296 0.74 ALDH1A1 (0.53) ALDH1A1TDP1POLBMAPTMAPK1
SCHEMBL3584166 0.74 CRHBP (0.51) ALDH1A1TDP1MAPTMAPK1SMN1; SMN2
SCHEMBL7997158 0.72 CRHBP (0.54) ALDH1A1TDP1MAPTMAPK1SMN1; SMN2

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-8703907-B2 Controlled drug release from dendrimers PROLYNX LLC (US) 2014-04-22 US disclosed
US-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2013-05-16 US disclosed
EP-2571496-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS Prolynx Llc (US) 2013-03-27 EP disclosed
WO-2011140376-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS PROLYNX LLC (US) 2011-11-10 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-20130123461-A1 CONTROLLED DRUG RELEASE FROM DENDRIMERS SLC43A1, SLC47A1, SLC47A2 ALDH1A1 2780/4885TDP1 1337/4885POLB 304/4885

“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.