SCHEMBL13698355

SCHEMBL13698355

O=[N+]([O-])c1ccc2sc3c(c2c1)c1sc2ccc([N+](=O)[O-])cc2c1c1sc2ccc([N+](=O)[O-])cc2c31

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
POLB P06746 1/20 0.46
G6PD P11413 1/20 0.44
TLR9 Q9NR96 1/20 0.44
MAPT P10636 5/20 0.44
AHR P35869 1/20 0.44
MCL1 Q07820 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
HTT P42858 2/20 0.43
ALDH1A1 P00352 3/20 0.42
TSHR P16473 3/20 0.42
CYP3A4 P08684 1/20 0.42
MIF P14174 1/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL11118149 0.84 SMN1; SMN2 (0.50) EGFRSMN1; SMN2POLBG6PDTLR9
SCHEMBL16857506 0.81 EGFR (0.50) EGFRSMN1; SMN2POLBG6PDTLR9
SCHEMBL12055674 0.77 CRHBP (0.50) EGFRSMN1; SMN2MAPTCRHBPCRHR2
SCHEMBL5115377 0.76 PARP1 (0.51) EGFRSMN1; SMN2POLBG6PDTLR9
SCHEMBL17037092 0.76 MAPT (0.49) EGFRSMN1; SMN2POLBG6PDTLR9
SCHEMBL11664475 0.76 MAPT (0.51) EGFRSMN1; SMN2POLBG6PDTLR9
Methane SCHEMBL27594830 0.75 MAPT (0.50) EGFRSMN1; SMN2POLBG6PDTLR9
SCHEMBL11714259 0.75 HSPB1 (0.47) SMN1; SMN2POLBG6PDTLR9MAPT
SCHEMBL4208072 0.75 PARP1 (0.57) EGFRSMN1; SMN2POLBMAPTAHR
SCHEMBL17037126 0.74 CRHBP (0.47) EGFRSMN1; SMN2MAPTCRHBPCRHR2

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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 US disclosed
WO-2007064227-A1 MULTIMERIC MAGENTIC RESONANCE CONTRAST AGENTS GE HEALTHCARE AS (NO) 2007-06-07 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-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS MAG, MSR1, FABP7 EGFR 3880/4885SMN1; SMN2 36/4885POLB 3481/4885

“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.