SCHEMBL3097622

SCHEMBL3097622

CCN(C(=O)C(Cc1cnn(Cc2ccccc2)c1)C(=O)O)c1cccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 3/20 0.39
ACACB O00763 1/20 0.38
ITK Q08881 1/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KLKB1 P03952 1/20 0.36
SCD O00767 1/20 0.36
SCD5 Q86SK9 1/20 0.36

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
SCHEMBL3090466 0.92 ALDH1A1 (0.39) L3MBTL1ALDH1A1KDM4ETSHRGAA
SCHEMBL3096784 0.84 L3MBTL1 (0.36) L3MBTL1ALDH1A1KDM4ETSHRGAA
SCHEMBL3096794 0.84 L3MBTL1 (0.36) L3MBTL1ALDH1A1KDM4ETSHRGAA
SCHEMBL3097169 0.84 ALDH1A1 (0.40) L3MBTL1ALDH1A1TSHRACACBITK
SCHEMBL3080075 0.82 SCD (0.40) L3MBTL1ALDH1A1ACACBPOLBTDP1
SCHEMBL3090818 0.81 L3MBTL1 (0.43) L3MBTL1ALDH1A1ACACBITKNPSR1
SCHEMBL27808975 0.81 L3MBTL1 (0.43) L3MBTL1ALDH1A1KDM4ETSHRGAA
SCHEMBL3103633 0.78 LMNA (0.46) ALDH1A1TSHRACACBLMNAMAPT
SCHEMBL3093117 0.78 ALDH1A1 (0.42) ALDH1A1KDM4ETSHRKMT2ALMNA
SCHEMBL3471108 0.77 L3MBTL1 (0.53) L3MBTL1ALDH1A1ACACBITKLMNA

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 L3MBTL1 4273/4885ALDH1A1 617/4885KDM4E 3644/4885

“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.