SCHEMBL3498644

SCHEMBL3498644

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
PDE7A Q13946 1/20 0.44
VCAM1 P19320 2/20 0.43
HSPB1 P04792 4/20 0.41
ALDH1A1 P00352 2/20 0.40
HIF1A Q16665 1/20 0.40
KCNMA1 Q12791 1/20 0.39
RAB9A P51151 1/20 0.38
TTR P02766 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL27455671 0.85 TDP1 (0.60) ATMTDP1PDE7AVCAM1HSPB1
SCHEMBL404745 0.83 VCAM1 (0.64) ATMTDP1PDE7AVCAM1HSPB1
SCHEMBL1795352 0.78 TDP1 (0.57) TDP1VCAM1HSPB1ALDH1A1HIF1A
SCHEMBL7734099 0.78 VCAM1 (0.44) ATMTDP1VCAM1ALDH1A1MAPT
SCHEMBL29745239 0.77 TDP1 (0.72) ATMTDP1PDE7AVCAM1HSPB1
SCHEMBL216553 0.77 TDP1 (0.72) ATMTDP1PDE7AVCAM1HSPB1
SCHEMBL7664972 0.77 VCAM1 (0.71) TDP1PDE7AVCAM1ALDH1A1MAPK1
SCHEMBL8762851 0.77 ALDH1A1 (0.51) TDP1ALDH1A1HIF1AMAPTMAPK1
SCHEMBL1019385 0.77 TDP1 (0.50) ATMTDP1PDE7AVCAM1HSPB1
SCHEMBL28623382 0.76 ATM (0.46) ATMTDP1PDE7AVCAM1HSPB1

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-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex QUANTUM MEDICAL HOLDINGS, LLC 2010-02-11 US claimed
WO-2010016858-A2 MOLECULAR IMAGING PROBES CARESTREAM HEALTH, INC. (US) 2010-02-11 WO claimed
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex QUANTUM MEDICAL HOLDINGS, LLC 2010-02-11 US disclosed
WO-2010016858-A2 MOLECULAR IMAGING PROBES CARESTREAM HEALTH, INC. (US) 2010-02-11 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-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex CLTA, COPE, CD68 ATM 1350/4885TDP1 987/4885PDE7A 4652/4885

“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.