SCHEMBL3085176

SCHEMBL3085176

CCOC(=O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)N(CC)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MMP8 P22894 1/20 0.38
LMNA P02545 1/20 0.37
SCD O00767 3/20 0.37
SCD5 Q86SK9 3/20 0.37
OXTR P30559 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.35
DHODH Q02127 1/20 0.35
KLKB1 P03952 3/20 0.35
PKM P14618 1/20 0.35
MAPK14 Q16539 1/20 0.34

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
SCHEMBL3080075 0.92 SCD (0.40) ALDH1A1SCDSCD5OXTRKLKB1
SCHEMBL3096293 0.90 NPY1R (0.43) NPY1RNPY2RALDH1A1MMP8LMNA
SCHEMBL27787096 0.86 ALDH1A1 (0.42) ALDH1A1LMNASCDSCD5OXTR
SCHEMBL3090466 0.84 ALDH1A1 (0.39) NPY1RNPY2RALDH1A1MMP8LMNA
SCHEMBL3092856 0.84 LMNA (0.43) NPY1RNPY2RALDH1A1MMP8LMNA
SCHEMBL27787130 0.83 SCD (0.41) ALDH1A1SCDSCD5OXTRKLKB1
SCHEMBL3084436 0.83 MMP8 (0.44) NPY1RNPY2RALDH1A1MMP8LMNA
SCHEMBL3097597 0.82 KMT2A (0.43) NPY1RNPY2RALDH1A1MMP8LMNA
SCHEMBL3089260 0.81 KMT2A (0.39) NPY1RNPY2RALDH1A1MMP8LMNA
SCHEMBL3093281 0.81 ALDH1A1 (0.41) NPY1RNPY2RALDH1A1MMP8LMNA

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 6 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
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 NPY1R 1344/4885NPY2R 1589/4885ALDH1A1 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.