SCHEMBL2597327

SCHEMBL2597327

CC(C)c1cc2[nH]c(=O)n(N(C(=O)OCc3ccccc3)S(C)(=O)=O)c(=O)c2cc1-c1ccnn1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.35
KDM4E B2RXH2 4/20 0.33
IMPDH2 P12268 1/20 0.32
ALDH1A1 P00352 5/20 0.32
HSD17B10 Q99714 4/20 0.32
HPGD P15428 1/20 0.32
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EGFR P00533 1/20 0.31
AURKB Q96GD4 1/20 0.31
INCENP Q9NQS7 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MAPT P10636 1/20 0.31
BRD4 O60885 1/20 0.31
BDKRB2 P30411 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
CREBBP Q92793 1/20 0.31
KAT2B Q92831 1/20 0.30

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
SCHEMBL2597238 0.90 HAVCR2 (0.32) KDM4EIMPDH2ALDH1A1HSD17B10
SCHEMBL2597208 0.88 KDM4E (0.34) KDM4EIMPDH2ALDH1A1HSD17B10HPGD
SCHEMBL2597446 0.87 KDM4E (0.37) HDAC8KDM4EIMPDH2ALDH1A1HSD17B10
SCHEMBL2597409 0.84 HAVCR2 (0.32) IMPDH2BRD4
SCHEMBL2597335 0.81 KDM4E (0.35) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL2597264 0.80 KDM4E (0.37) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL2597358 0.78 IMPDH2 (0.36) KDM4EIMPDH2ALDH1A1HSD17B10HPGD
SCHEMBL2597234 0.76 KDM4E (0.34) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL2597245 0.75 KDM4E (0.34) KDM4EALDH1A1HSD17B10HPGDGAA
SCHEMBL2597367 0.74

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571865-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES Novartis AG (CH) 2013-03-27 EP disclosed
US-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG 2013-02-28 US disclosed
WO-2011144666-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-11-24 WO 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-20130053381-A1 2,4-DIOXO-1,4-DIHYDRO-2H-QUINAZOLIN-3-YL-SULFONAMIDE DERIVATIVES GRIK2, GRIK1, GRIK4 HDAC8 1132/4885KDM4E 784/4885IMPDH2 1186/4885

“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.