SCHEMBL15826953

SCHEMBL15826953

Cc1ccc(Nc2c(F)c(F)cc(F)c2[N+](=O)[O-])c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
MAPT P10636 4/20 0.40
LMNA P02545 3/20 0.40
MAPK1 P28482 3/20 0.39
KAT2B Q92831 2/20 0.37
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
PABPC1 P11940 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL15826954 0.90 KMT2A (0.42) KMT2AMEN1MAPTLMNAMAPK1
SCHEMBL345946 0.83 MAP2K1 (0.51) MAPK1MAP2K2MAP2K1
SCHEMBL1681534 0.83 MAP2K1 (0.42) KMT2AMEN1LMNAMAP2K2MAP2K1
SCHEMBL19050697 0.81 KMT2A (0.51) KMT2AMEN1MAPTMAPK1KAT2B
SCHEMBL11929737 0.77 MAP2K1 (0.45) MAP2K2MAP2K1
SCHEMBL391717 0.77 MAP2K1 (0.48) MAP2K2MAP2K1
SCHEMBL19050830 0.75 MAP2K1 (0.40) KMT2AMEN1MAPK1MAP2K2MAP2K1
SCHEMBL390166 0.73 MAP2K1 (0.46) MAP2K2MAP2K1
SCHEMBL1681646 0.72 MAP2K1 (0.49) MAPK1MAP2K2MAP2K1ALDH1A1
SCHEMBL346016 0.72 MAP2K1 (0.49) MAP2K2MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2017-06-29 US disclosed
US-8759577-B2 Polymorphic form of N-(S)-(3,4-difluoro-2-(2-fluoro-4-iodophenylamino)-6-methoxyphenyl)-1-(2,3-dihydroxypropyl)cyclopropane-1-sulfonamide and uses thereof ARDEA BIOSCIENCES, INC. (US) 2014-06-24 US 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-20170183333-A1 DERIVATIVES OF N-(ARYLAMINO) SULFONAMIDES AS INHIBITORS OF MEK BRAF, NRAS, MAP3K2 KMT2A 502/4885MEN1 1666/4885MAPT 4582/4885

“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.