SCHEMBL3216355

SCHEMBL3216355

O=[N+]([O-])c1cccc(OCCN2CCCCCC2)c1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.81
PTGS2 P35354 3/20 0.81
PTGS1 P23219 2/20 0.64
KDM4E B2RXH2 5/20 0.63
ALDH1A1 P00352 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
BACE1 P56817 1/20 0.59
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 1/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CHRNB2 P17787 1/20 0.56
CHRNA4 P43681 1/20 0.56

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
SCHEMBL3216529 1.00 LTA4H (0.81) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL3209576 0.99 LTA4H (0.83) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL13202242 0.93 LTA4H (0.72) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL18788213 0.92 LTA4H (0.73) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL491779 0.90 HRH3 (0.72) LTA4HPTGS2KDM4EALDH1A1HRH3
SCHEMBL5857234 0.88 HRH3 (0.70) LTA4HPTGS2KDM4EALDH1A1HRH3
SCHEMBL3207509 0.88 LTA4H (0.68) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL1961763 0.87 LTA4H (0.67) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL29848488 0.87 LTA4H (0.67) LTA4HPTGS2PTGS1KDM4EALDH1A1
SCHEMBL27853350 0.87 LTA4H (0.67) LTA4HPTGS2PTGS1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 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 (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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 LTA4H 2174/4885PTGS2 1116/4885PTGS1 1007/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 LTA4H 1982/4885PTGS2 996/4885PTGS1 891/4885

“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.