SCHEMBL1983602

SCHEMBL1983602

COc1cc(F)c(F)c(Nc2ccc(Br)cc2F)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
KDR P35968 2/20 0.44
RET P07949 1/20 0.44
KIF5B P33176 1/20 0.44
MAP2K1 Q02750 12/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.37
CASP6 P55212 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
SCHEMBL1681218 0.91 EGFR (0.44) EGFRKDRRETKIF5BMAP2K1
SCHEMBL346016 0.86 MAP2K1 (0.49) MAP2K1
SCHEMBL1681534 0.85 MAP2K1 (0.42) MAP2K1ALDH1A1TDP1L3MBTL1MEN1
SCHEMBL1681083 0.82 MAP2K1 (0.39) EGFRKDRMAP2K1ALDH1A1MEN1
SCHEMBL1979694 0.79 KDR (0.48) EGFRKDRRETKIF5BMAP2K1
SCHEMBL1681646 0.76 MAP2K1 (0.49) MAP2K1ALDH1A1MAPK1
SCHEMBL11908624 0.74 KDR (0.48) EGFRKDRRETKIF5BMAP2K1
SCHEMBL392951 0.73 MAP2K1 (0.47) MAP2K1MAPK1
SCHEMBL1578595 0.73 MAP2K1 (0.43) KDRMAP2K1MAPK1
SCHEMBL1578901 0.73 MAP2K1 (0.43) MAP2K1MAPK1

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-2509964-B1 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2014-04-30 EP disclosed
US-8614239-B2 Heterocyclic sulfonamide derivatives NOVARTIS AG (CH) 2013-12-24 US disclosed
EP-2509964-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES Novartis AG (CH) 2012-10-17 EP disclosed
US-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-09-27 US disclosed
WO-2011070030-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2011-06-16 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-20120245209-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES BRAF, NRAS, MAP3K1 EGFR 252/4885KDR 1342/4885RET 282/4885

“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.