SCHEMBL29914892

SCHEMBL29914892

O=[N+]([O-])c1cc(-c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 1/20 0.59
TDP1 Q9NUW8 3/20 0.55
ALDH1A1 P00352 2/20 0.55
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PSMD14 O00487 1/20 0.46
PRKACA P17612 1/20 0.46
CASP6 P55212 1/20 0.46
MAPK1 P28482 2/20 0.42
CYP3A4 P08684 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
STAT6 P42226 1/20 0.42
HIF1A Q16665 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42

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
SCHEMBL6934366 0.96 ALDH1A1 (0.58) HPRT1TDP1ALDH1A1CRHBPCRHR2
SCHEMBL2825162 0.83 ALDH1A1 (0.47) HPRT1TDP1ALDH1A1CRHBPCRHR2
SCHEMBL27548148 0.83 ALDH1A1 (0.55) HPRT1TDP1ALDH1A1CRHBPCRHR2
SCHEMBL5707211 0.81 CRHBP (0.57) HPRT1TDP1ALDH1A1CRHBPCRHR2
SCHEMBL2832444 0.81 ALDH1A1 (0.45) HPRT1TDP1ALDH1A1CRHBPCRHR2
SCHEMBL7051300 0.80 ALDH1A1 (0.60) HPRT1TDP1ALDH1A1CRHBPCRHR2
SCHEMBL15941658 0.80 TDP1 (0.40) HPRT1TDP1ALDH1A1CRHBPCRHR2
SCHEMBL9747267 0.80 HPRT1 (0.80) HPRT1TDP1ALDH1A1CRHBPCRHR2
SCHEMBL15461976 0.79 ALDH1A1 (0.69) HPRT1TDP1ALDH1A1CRHBPCRHR2
SCHEMBL11840696 0.78 HPRT1 (0.54) HPRT1TDP1ALDH1A1CRHBPCRHR2

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-11444250-B2 Composition of matter for use in organic light-emitting diodes KYULUX, INC. (JP) 2022-09-13 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-11444250-B2 Composition of matter for use in organic light-emitting diodes CRY2, ALDH1A2, CYBA HPRT1 233/4885TDP1 770/4885ALDH1A1 60/4885

“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.