SCHEMBL6203361

SCHEMBL6203361

NC(=S)c1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
PDE7A Q13946 1/20 0.44
KCNMA1 Q12791 1/20 0.43
HSPB1 P04792 2/20 0.39
TTR P02766 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HIF1A Q16665 1/20 0.37
MAPT P10636 2/20 0.36
HRAS P01112 1/20 0.36
CYP3A4 P08684 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PARP1 P09874 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
SCHEMBL6204226 0.86 TDP1 (0.55) ATMTDP1PDE7AKCNMA1HSPB1
SCHEMBL404749 0.84 ATM (0.52) ATMTDP1PDE7AKCNMA1HSPB1
SCHEMBL20560660 0.83 ATM (0.50) ATMTDP1PDE7AKCNMA1HSPB1
SCHEMBL996616 0.79 TSHR (0.56) KCNMA1ALDH1A1MAPTCYP3A4MAPK1
SCHEMBL995599 0.79 HPD (0.54) TDP1KCNMA1ALDH1A1HIF1AMAPT
SCHEMBL404750 0.79 TDP1 (0.53) ATMTDP1PDE7AKCNMA1TTR
SCHEMBL4817687 0.77 ATM (0.52) ATMTDP1PDE7AKCNMA1HSPB1
SCHEMBL621197 0.77 TDP1 (0.52) ATMTDP1PDE7AKCNMA1TTR
Hydrochloric Acid SCHEMBL26110373 0.77 TDP1 (0.52) ATMTDP1PDE7AKCNMA1TTR
SCHEMBL6998567 0.76 ATM (0.50) ATMTDP1PDE7AKCNMA1HSPB1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 US disclosed
EP-1549278-A4 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2005-12-14 EP disclosed
EP-1549278-A2 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
WO-2004012684-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-02-12 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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 ATM 4079/4885TDP1 3534/4885PDE7A 821/4885

“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.