SCHEMBL3089093

SCHEMBL3089093

CCOC(=O)C(Cc1cnn(Cc2ccccn2)c1)C(=O)N(CC)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ERCC5 P28715 1/20 0.39
CREBBP Q92793 1/20 0.38
NPY1R P25929 1/20 0.37
NPY2R P49146 1/20 0.37
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MMP8 P22894 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
OPRD1 P41143 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
KCNH2 Q12809 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
SCHEMBL3096293 0.89 NPY1R (0.43) ALDH1A1NPY1RNPY2RPKMMMP8
SCHEMBL3097597 0.86 KMT2A (0.43) ALDH1A1KDM4ENPY1RNPY2RPKM
SCHEMBL3092856 0.84 LMNA (0.43) ALDH1A1NPY1RNPY2RMMP8HTT
SCHEMBL3089260 0.84 KMT2A (0.39) ALDH1A1NPY1RNPY2RMMP8KMT2A
SCHEMBL3093281 0.84 ALDH1A1 (0.41) ALDH1A1KDM4ENPY1RNPY2RPOLB
SCHEMBL3091580 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ENPY1RNPY2RPKM
SCHEMBL3100451 0.81 ALDH1A1 (0.39) ALDH1A1NPY1RNPY2RMMP8KMT2A
SCHEMBL3080395 0.81 ALDH1A1 (0.38) ALDH1A1KDM4ENPY1RNPY2RPKM
SCHEMBL3083807 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBPKMHTT
SCHEMBL3085176 0.79 NPY1R (0.41) ALDH1A1NPY1RNPY2RPKMMMP8

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 5 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
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 ALDH1A1 617/4885KDM4E 3644/4885ERCC5 4812/4885

“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.