SCHEMBL19050697

SCHEMBL19050697

Cc1ccc(Nc2c([N+](=O)[O-])ccc(F)c2F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.47
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
KAT2B Q92831 3/20 0.43
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAP2K2 P36507 2/20 0.39
MAP2K1 Q02750 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL390986 0.83 MAP2K1 (0.58) MAPK1MAP2K2MAP2K1
SCHEMBL15826953 0.81 KMT2A (0.40) KMT2AMEN1TSHRCYP3A4KAT2B
SCHEMBL15826954 0.80 KMT2A (0.42) KMT2AMEN1KAT2BMAPK1TDP1
SCHEMBL25944210 0.77 RAPGEF4 (0.46) KMT2AMEN1MAPK1MAP2K2MAP2K1
SCHEMBL22583718 0.77 MAPK1 (0.51) KMT2AMEN1TSHRCYP3A4KAT2B
SCHEMBL22474667 0.77 KMT2A (0.61) KMT2AMEN1TSHRCYP3A4TDP1
SCHEMBL247992 0.75 TSHR (0.67) KMT2AMEN1TSHRCYP3A4KAT2B
SCHEMBL29384695 0.75 TSHR (0.67) KMT2AMEN1TSHRCYP3A4KAT2B
SCHEMBL19050822 0.75 MAP2K1 (0.43) KMT2AMEN1CYP3A4MAPK1TDP1
SCHEMBL11595300 0.75 MAPK1 (0.44) KMT2AMEN1TSHRCYP3A4KAT2B

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 1 patent. 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

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 1666/4885TSHR 2663/4885

“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.