SCHEMBL13181024

SCHEMBL13181024

CCCc1cccc(OC)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 1/20 0.46
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
PPARA Q07869 1/20 0.42
ELANE P08246 1/20 0.42
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
TAAR1 Q96RJ0 1/20 0.40
GAA P10253 3/20 0.39

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
SCHEMBL8217655 0.88 ALDH1A1 (0.52) ALDH1A1TDP1HPGDALOX5PTGS2
SCHEMBL29273227 0.88 PPARA (0.58) ALDH1A1TDP1HPGDALOX5PTGS2
SCHEMBL8504212 0.85 TAAR1 (0.59) ALDH1A1TDP1HPGDL3MBTL1HTR1A
SCHEMBL3831148 0.85 HPGD (0.48) ALDH1A1TDP1HPGDALOX5PTGS2
SCHEMBL18138416 0.83 ALDH1A1 (0.50) ALDH1A1TDP1HPGDL3MBTL1HTR1A
SCHEMBL28041426 0.81 HPGD (0.43) ALDH1A1TDP1HPGDALOX5PTGS2
SCHEMBL28399606 0.81 TSHR (0.43) ALDH1A1TDP1HPGDL3MBTL1HTR1A
SCHEMBL16154026 0.81 HPGD (0.50) ALDH1A1TDP1HPGDL3MBTL1HTR1A
SCHEMBL6967217 0.81 ALDH1A1 (0.53) ALDH1A1TDP1HPGDL3MBTL1HTR1A
SCHEMBL8432682 0.81 ALDH1A1 (0.49) ALDH1A1TDP1HPGDL3MBTL1HTR1A

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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ALDH1A1 617/4885TDP1 4770/4885HPGD 1736/4885

“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.