SCHEMBL3093669

SCHEMBL3093669

CCC(Cc1cnn(Cc2ccccc2[N+](=O)[O-])c1)(C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.44
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TYR P14679 1/20 0.39
TAS2R8 Q9NYW2 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3092873 0.83 HPGD (0.49) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL28787492 0.81 TGM2 (0.46) TGM2POLBALDH1A1KDM4ETYR
SCHEMBL3091908 0.81 L3MBTL1 (0.47) POLBALDH1A1LMNATDP1
SCHEMBL3097139 0.81 TGM2 (0.42) TGM2POLBALDH1A1KDM4ETYR
SCHEMBL3096936 0.80 ALDH1A1 (0.49) POLBALDH1A1KDM4ELMNATDP1
SCHEMBL3470348 0.79 TGM2 (0.47) TGM2ALDH1A1KDM4ETYRTAS2R8
SCHEMBL3090463 0.76 ERCC5 (0.46) ALDH1A1KDM4ETAS2R8
SCHEMBL3096925 0.75 TSHR (0.41) ALDH1A1KDM4ELMNAACHECYP2C19
SCHEMBL15310228 0.75 HSD17B10 (0.49) POLBALDH1A1KDM4ELMNATDP1
SCHEMBL17443354 0.75 TGM2 (0.47) TGM2POLBALDH1A1KDM4ETYR

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-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
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 TGM2 3050/4885POLB 4626/4885ALDH1A1 617/4885

“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.