SCHEMBL5549635

SCHEMBL5549635

O=[N+]([O-])c1ccc(SC2CCCC2)c(C=[N+]([O-])C2CCCCC2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
TXN P10599 1/20 0.41
RAB9A P51151 1/20 0.40
MGLL Q99685 3/20 0.40
HSP90AA1 P07900 1/20 0.39
MAPT P10636 4/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.36
RIPK1 Q13546 1/20 0.36
TXNRD1 Q16881 1/20 0.36
TXNRD3 Q86VQ6 1/20 0.36
TXNRD2 Q9NNW7 1/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8294865 1.00 HPGD (0.42) HPGDTXNRAB9AMGLLHSP90AA1
SCHEMBL14390568 0.88 HPGD (0.43) HPGDTXNRAB9AMGLLHSP90AA1
SCHEMBL6926453 0.84 ERN1 (0.48) HPGDTXNRAB9AMGLLHSP90AA1
SCHEMBL5553609 0.83 ERN1 (0.49) HPGDTXNMGLLHSP90AA1MAPT
SCHEMBL5549151 0.81 HPGD (0.41) HPGDTXNRAB9AMGLLHSP90AA1
SCHEMBL8293557 0.81 HPGD (0.41) HPGDTXNRAB9AMGLLHSP90AA1
SCHEMBL14390525 0.80 HPGD (0.42) HPGDTXNRAB9AMGLLHSP90AA1
SCHEMBL5552905 0.78 POLB (0.40) HPGDRAB9AMGLLMAPTKDM4E
SCHEMBL8292441 0.78 POLB (0.40) HPGDRAB9AMGLLMAPTKDM4E
SCHEMBL8293553 0.78 PDE7A (0.56) MAPTHTTKDM4ETDP1ALDH1A1

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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2007-11-29 US disclosed
EP-1660011-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS Renovis, Inc. (US) 2006-05-31 EP disclosed
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders RENOVIS, INC. 2005-03-17 US disclosed
WO-2005016272-A2 ARYL, HETEROAROMATIC AND BICYCLIC ARYL NITRONE COMPOUNDS, PRODRUGS AND PHARMACEUTICAL COMPOSITIONS OF THE SAME TO TREAT HUMAN DISORDERS RENOVIS, INC. (US) 2005-02-24 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 (2 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-20070275932-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT HPGD 120/4885TXN 338/4885RAB9A 1877/4885
US-20050059638-A1 Aryl, heteroaromatic and bicyclic aryl nitrone compounds, prodrugs and pharmaceutical compositions of the same to treat human disorders AHR, NAT1, ARNT HPGD 120/4885TXN 338/4885RAB9A 1877/4885

“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.