SCHEMBL416174

SCHEMBL416174

NOC(=O)c1[nH]c(=O)[nH]c(=O)c1F

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.60
THRB P10828 1/20 0.60
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4A O75164 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
LIPG Q9Y5X9 4/20 0.31
DHODH Q02127 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL21886927 0.81 THRB (0.60) JAK2THRBKDM4EALDH1A1KDM4A
SCHEMBL9943788 0.77 JAK2 (0.55) JAK2THRBKDM4EALDH1A1SMN1; SMN2
SCHEMBL44527 0.75 JAK2 (1.00) JAK2THRBALDH1A1DHODH
SCHEMBL9715507 0.75 JAK2 (1.00) JAK2THRBALDH1A1DHODH
SCHEMBL10627886 0.74 JAK2 (0.96) JAK2THRBALDH1A1DHODH
SCHEMBL10629768 0.74 JAK2 (0.96) JAK2THRBALDH1A1DHODH
SCHEMBL17930149 0.74 JAK2 (0.67) JAK2THRBALDH1A1SMN1; SMN2TDP1
Water SCHEMBL147605 0.74 JAK2 (0.96) JAK2THRBALDH1A1DHODH
Lithium Ion SCHEMBL10629765 0.72 JAK2 (0.64) JAK2THRBALDH1A1SMN1; SMN2
SCHEMBL10627877 0.72 JAK2 (0.64) JAK2THRBALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334306-B2 Nitroxide free radical synergized antineoplastic agents THE TRUSTEES OF CALIFORNIA STATE UNIVERSITY (US) 2012-12-18 US disclosed
US-20120065230-A1 Nitroxide Free Radical Synergized Antineoplastic Agents THE TRUSTEES OF CALIFORNIA STATE UNIVERSITY (US) 2012-03-15 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-20120065230-A1 Nitroxide Free Radical Synergized Antineoplastic Agents NOX1, NQO1, TXNRD2 JAK2 1798/4885THRB 4645/4885KDM4E 1162/4885

“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.