SCHEMBL16367349

SCHEMBL16367349

CC(=O)OC(COS(=O)(=O)c1ccc(C)cc1)Cn1cncc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.37
ERBB2 P04626 3/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.33
PSMD10 O75832 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
STAT3 P40763 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL16367343 0.90 EGFR (0.36) EGFRERBB2LMNAMAPK1KDM4E
SCHEMBL15607876 0.85 ALDH1A1 (0.37) EGFRERBB2LMNAMAPK1POLB
SCHEMBL16367302 0.85 POLB (0.36) LMNAMAPK1POLBKDM4EMAPT
SCHEMBL16367365 0.85 MMP2 (0.36) EGFRERBB2LMNAMAPK1POLB
SCHEMBL15607811 0.85 EGFR (0.36) EGFRERBB2MAPK1POLBKDM4E
SCHEMBL16367353 0.83 EGFR (0.52) EGFRERBB2LMNAMAPK1KDM4E
SCHEMBL16367310 0.79 POLB (0.37) LMNAMAPK1POLBKDM4EMAPT
SCHEMBL16367345 0.79 L3MBTL1 (0.38) EGFRERBB2LMNAMAPK1POLB
SCHEMBL8423991 0.78 STAT3 (0.44) LMNAMAPK1KMT2AALDH1A1STAT3
SCHEMBL15544213 0.75 PSMD10 (0.37) EGFRERBB2PSMD10ALDH1A1RAB9A

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
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 EGFR 1866/4885ERBB2 1218/4885LMNA 4469/4885

“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.