SCHEMBL16375027

SCHEMBL16375027

Cc1ccc(S(=O)(=O)OCCNC(=O)Cn2ccnc2[N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.59
▸ THRB P10828 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ CA12 O43570 5/20 0.59
▸ CA1 P00915 5/20 0.59
▸ CA2 P00918 5/20 0.59
▸ CA9 Q16790 5/20 0.59
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EGFR P00533 1/20 0.39
▸ ERBB2 P04626 1/20 0.39
▸ PSMD10 O75832 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 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
SCHEMBL943760 0.83 CA12 (0.51) LMNATHRBCYP2C19CA12CA1
SCHEMBL28634383 0.82 CA12 (0.49) LMNATHRBCYP2C19CA12CA1
SCHEMBL16375028 0.82 L3MBTL1 (0.41) LMNATHRBCYP2C19CA12CA1
SCHEMBL15607875 0.80 EGFR (0.43) CA12CA1CA2CA9L3MBTL1
SCHEMBL27794804 0.78 CA12 (0.46) CA12CA1CA2CA9EGFR
SCHEMBL16375293 0.78 EGFR (0.66) CA12CA1CA2CA9EGFR
SCHEMBL15607849 0.78 TAAR1 (0.56) LMNAL3MBTL1EGFRERBB2PSMD10
SCHEMBL16367292 0.77 KMT2A (0.54) LMNATHRBCYP2C19CA12CA1
SCHEMBL14499615 0.77 LMNA (0.78) LMNATHRBCYP2C19CA12CA1
Etanidazole SCHEMBL4414 0.75 LMNA (1.00) LMNATHRBCYP2C19CA12CA1

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 LMNA 4469/4885THRB 1824/4885CYP2C19 340/4885

“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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