SCHEMBL2597245

SCHEMBL2597245

CCCCCCOC(=O)N(n1c(=O)[nH]c2cc(CC)c(-c3ccnn3C)cc2c1=O)S(C)(=O)=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LTB4R Q15722 1/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GLA P06280 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP19A1 P11511 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL12180471 0.85 HAVCR2 (0.33) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2597237 0.83 IMPDH2 (0.30)
SCHEMBL12180538 0.83 ALDH1A1 (0.33) ALDH1A1HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL2597362 0.82 KDM4E (0.30) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2597312 0.81 ADORA3 (0.32)
SCHEMBL2597238 0.80 HAVCR2 (0.32) KDM4EALDH1A1HSD17B10LMNA
SCHEMBL2597091 0.78 CCNK (0.31) KDM4EALDH1A1
SCHEMBL2597421 0.78 KDM4E (0.34) KDM4EALDH1A1GAAHPGDHSD17B10
SCHEMBL2597226 0.77 IMPDH2 (0.31) KDM4EALDH1A1
SCHEMBL2597332 0.76 KDM4E (0.34) KDM4EALDH1A1GAAHPGDHSD17B10

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 KDM4E 784/4885ALDH1A1 387/4885GAA 1546/4885

“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.