SCHEMBL2597282

SCHEMBL2597282

COC(=O)c1cc(-n2ccnc2C)c(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 5/20 0.37
SIRT6 Q8N6T7 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 2/20 0.35
CFTR P13569 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TRPV1 Q8NER1 1/20 0.34
IDH2 P48735 1/20 0.34
CYP3A4 P08684 5/20 0.33
CYP1A2 P05177 4/20 0.33
ADORA3 P0DMS8 4/20 0.33

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
SCHEMBL2597278 0.82 CFTR (0.53) ALDH1A1KDM4EMAPTKMT2ACFTR
SCHEMBL31253267 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTSIRT6PDGFRB
SCHEMBL8911834 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTSIRT6KMT2A
SCHEMBL5166126 0.79 SMN1; SMN2 (0.39) ALDH1A1MAPTSIRT6MAPK1L3MBTL1
SCHEMBL8910813 0.78 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTMAPK1KMT2A
SCHEMBL8910815 0.77 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTPDGFRAFLT1
SCHEMBL5165313 0.77 TLR2 (0.39) ALDH1A1KDM4EMAPTSIRT6MAPK1
SCHEMBL5167327 0.77 SMN1; SMN2 (0.37) ALDH1A1KDM4EMAPTSIRT6PDGFRB
SCHEMBL5168841 0.77 SIRT6 (0.47) ALDH1A1MAPTSIRT6KMT2ASMN1; SMN2
SCHEMBL5167207 0.76 USP10 (0.39) ALDH1A1KDM4EMAPTPDGFRBFGFR1

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-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
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
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 ALDH1A1 387/4885KDM4E 784/4885MAPT 2994/4885

“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.