SCHEMBL1465587

SCHEMBL1465587

CCCCCNS(=O)(=O)c1cccc(Oc2ccc([N+](=O)[O-])c(C(=O)OC)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TBXA2R P21731 4/20 0.42
PKM P14618 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP2 P08253 1/20 0.40
CA9 Q16790 1/20 0.40
EPHX2 P34913 1/20 0.40
FBP1 P09467 1/20 0.40

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
SCHEMBL1082241 0.92 ALDH1A1 (0.49) TDP1LMNAMAPK1HTTALDH1A1
SCHEMBL1466023 0.84 LMNA (0.45) LMNAMAPK1HTTALDH1A1PKM
SCHEMBL1467336 0.83 LMNA (0.44) LMNAMAPK1HTTALDH1A1L3MBTL1
SCHEMBL1656632 0.77 TDP1 (0.57) TDP1LMNAHTTALDH1A1MEN1
SCHEMBL1074499 0.77 ALDH1A1 (0.52) LMNAMAPK1HTTALDH1A1MEN1
SCHEMBL1465590 0.77 LMNA (0.41) LMNAMAPK1HTTALDH1A1KMT2A
SCHEMBL10784720 0.77 TDP1 (0.70) TDP1MAPK1HTTALDH1A1MEN1
SCHEMBL1081632 0.76 HCAR3 (0.49) TDP1LMNAMAPK1ALDH1A1MEN1
SCHEMBL2724028 0.76 TDP1 (0.62) TDP1MAPK1ALDH1A1MEN1KMT2A
SCHEMBL10784998 0.75 TDP1 (0.59) TDP1MAPK1HTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US 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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R TDP1 4176/4885LMNA 710/4885MAPK1 3622/4885

“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.