SCHEMBL16375036

SCHEMBL16375036

Cc1ccc(S(=O)(=O)OCc2c([N+](=O)[O-])ncn2CC(=O)NCC(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.39
▸ KMT2A Q03164 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ ERBB2 P04626 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ STAT3 P40763 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ SIRT5 Q9NXA8 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ ERO1A Q96HE7 1/20 0.32

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
SCHEMBL16375034 0.93 KMT2A (0.37) F2KMT2AMAPTMEN1EGFR
SCHEMBL15607861 0.88 F2 (0.39) F2KMT2AMAPTMEN1GAA
SCHEMBL15607944 0.85 MAPT (0.38) F2KMT2AMAPTMEN1EGFR
SCHEMBL16375030 0.82 PKM (0.41) KMT2AMAPTMEN1EGFRERBB2
SCHEMBL15607862 0.81 ALDH1A1 (0.34) F2KMT2AMAPTMEN1CA12
SCHEMBL16375032 0.80 F2 (0.33) F2KMT2AMAPTMEN1CA12
SCHEMBL15607955 0.80 KMT2A (0.35) KMT2AMAPTMEN1EGFRERBB2
SCHEMBL15607949 0.79 MAPT (0.37) F2KMT2AMAPTMEN1EGFR
SCHEMBL16375308 0.78 EGFR (0.51) KMT2AMEN1EGFRERBB2GAA
SCHEMBL16375035 0.78 LMNA (0.38) F2KMT2AMAPTMEN1POLB

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 — — 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB F2 2551/4885KMT2A 2366/4885MAPT 3982/4885

“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.

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