SCHEMBL4174428

SCHEMBL4174428

Nc1c(Cl)ccc([N+](=O)[O-])c1F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.52
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
VCAM1 P19320 5/20 0.43
PDE7A Q13946 2/20 0.42
ALDH1A1 P00352 4/20 0.42
ATM Q13315 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
THRB P10828 1/20 0.41
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL6450803 0.85 TDP1 (0.52) TDP1TSHRMAPK1VCAM1PDE7A
SCHEMBL30490230 0.82 TDP1 (0.57) TDP1TSHRMAPK1VCAM1PDE7A
SCHEMBL8013048 0.82 TDP1 (0.57) TDP1TSHRMAPK1VCAM1PDE7A
SCHEMBL288026 0.80 TDP1 (0.48) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL29705523 0.80 TDP1 (0.48) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL10727741 0.80 TDP1 (0.67) TDP1TSHRMAPK1VCAM1PDE7A
SCHEMBL29435969 0.80 TDP1 (0.67) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL4603872 0.80 TDP1 (0.67) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL18663666 0.78 TDP1 (0.53) TDP1TSHRMAPK1VCAM1ALDH1A1
SCHEMBL899707 0.77 TDP1 (0.52) TDP1TSHRMAPK1VCAM1PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS CANNIZZARO CARINA 2009-10-01 US disclosed
CN-101410120-A Anti-inflammatory phosphonate compounds GILEAD SCIENCES INC (US) 2009-04-15 CN disclosed
US-7432261-B2 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. (US) 2008-10-07 US disclosed
US-20060199788-A1 Anti-inflammatory phosphonate compounds GILEAD SCIENCES, INC. 2006-09-07 US disclosed
EP-1663254-A2 ANTI-INFLAMATORY PHOSPHONATE CONJUGATES GILEAD SCIENCES, INC. (US) 2006-06-07 EP disclosed
WO-2004100960-A2 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS GILEAD SCIENCES, INC. (US) 2004-11-25 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 (2 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-20090247488-A1 ANTI-INFLAMMATORY PHOSPHONATE COMPOUNDS PHOSPHO1, TNF, PTGES TDP1 3075/4885TSHR 4758/4885MAPK1 1327/4885
US-20060199788-A1 Anti-inflammatory phosphonate compounds PHOSPHO1, TNF, PTGES TDP1 3075/4885TSHR 4758/4885MAPK1 1327/4885

“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.