SCHEMBL15545842

SCHEMBL15545842

Cc1ncc([N+](=O)[O-])n1Cc1cn(C(CO)COS(=O)(=O)c2ccccc2[N+](=O)[O-])nn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GUSB P08236 2/20 0.45
EGFR P00533 2/20 0.39
ERBB2 P04626 2/20 0.39
TYMS P04818 1/20 0.39
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL15544218 0.91 GUSB (0.42) GUSBEGFRERBB2TYMSCA1
SCHEMBL15545223 0.87 EGFR (0.44) GUSBEGFRERBB2TYMSCA1
SCHEMBL15544617 0.86 GUSB (0.44) GUSBEGFRERBB2CA1CA2
SCHEMBL15544800 0.85 HPGD (0.32) CA1CA2GAASMN1; SMN2MEN1
SCHEMBL16342580 0.85 ALDH1A1 (0.33) CA1CA2ALDH1A1GAASMN1; SMN2
SCHEMBL15544042 0.81 PKM (0.38) CA1CA2ALDH1A1GAASMN1; SMN2
SCHEMBL15607813 0.80 GUSB (0.44) GUSBEGFRERBB2ALDH1A1MAPK1
SCHEMBL16367303 0.79 MAPK1 (0.49) GUSBCA1CA2CA9CA12
SCHEMBL15544940 0.78 GUSB (0.50) GUSBEGFRERBB2TYMSCA1
SCHEMBL16367387 0.78 GUSB (0.50) GUSBEGFRERBB2TYMSCA1

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 3 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
EP-2793871-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION Auckland Uniservices Limited (NZ) 2014-10-29 EP disclosed
WO-2014007650-A1 COMPOUNDS AND METHODS FOR SELECTIVE IMAGING AND/OR ABLATION AUCKLAND UNISERVICES LIMITED (NZ) 2014-01-09 WO 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 GUSB 86/4885EGFR 1866/4885ERBB2 1218/4885

“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.