SCHEMBL3083807

SCHEMBL3083807

CCOC(=O)C(Cc1cnn(Cc2cccc([N+](=O)[O-])c2)c1)C(=O)N(CC)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
TRPM8 Q7Z2W7 1/20 0.41
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
POLB P06746 1/20 0.37
AR P10275 1/20 0.37
OPRK1 P41145 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
SCHEMBL3092696 0.92 TRPM8 (0.44) ALDH1A1TRPM8NPSR1LMNAMAPT
SCHEMBL3096293 0.88 NPY1R (0.43) ALDH1A1LMNAL3MBTL1PKMHTT
SCHEMBL3080395 0.85 ALDH1A1 (0.38) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL3097597 0.82 KMT2A (0.43) ALDH1A1LMNASMN1; SMN2KDM4EPKM
SCHEMBL3092856 0.82 LMNA (0.43) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL3092763 0.81 TRPM8 (0.42) ALDH1A1TRPM8NPSR1LMNAMAPT
SCHEMBL3092754 0.81 TRPM8 (0.42) ALDH1A1TRPM8NPSR1LMNAMAPT
SCHEMBL3085176 0.80 NPY1R (0.41) ALDH1A1LMNAPKM
SCHEMBL3469893 0.80 ALDH1A1 (0.48) ALDH1A1NPSR1LMNAMAPTMAPK1
SCHEMBL3089260 0.80 KMT2A (0.39) ALDH1A1LMNAMAPTSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2172450-B9 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2014-10-08 EP disclosed
CN-101784520-B Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2014-07-02 CN disclosed
EP-2172450-B1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2013-10-16 EP disclosed
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
CN-101784520-A Novel malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORP 2010-07-21 CN disclosed
EP-2172450-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2010-04-07 EP 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 617/4885TRPM8 135/4885NPSR1 879/4885

“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.