SCHEMBL5404017

SCHEMBL5404017

O=C1CSC(c2cccc(Oc3ccccc3)c2)N1CCN1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 1/20 0.53
LMNA P02545 1/20 0.53
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 2/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CACNA1B Q00975 2/20 0.42
HPGD P15428 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL5402527 0.92 LMNA (0.50) NPSR1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL5418650 0.92 PTGS1 (0.60) NPSR1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL5402969 0.90 ALDH1A1 (0.50) NPSR1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL5406373 0.90 ALDH1A1 (0.50) NPSR1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL5408875 0.89 ALDH1A1 (0.48) NPSR1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL5397992 0.89 ALDH1A1 (0.48) NPSR1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL5407258 0.88 CACNA1B (0.54) NPSR1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL5392930 0.88 NPSR1 (0.52) NPSR1ALDH1A1LMNAKDM4EKMT2A
SCHEMBL5392578 0.87 CACNA1B (0.55) NPSR1ALDH1A1LMNAPTGS1PTGS2
SCHEMBL5398622 0.86 NPSR1 (0.50) NPSR1ALDH1A1LMNAPTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7169782-B2 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-30 US claimed
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2004-09-09 US claimed
EP-1417187-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2004-05-12 EP claimed
US-20030109521-A1 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE, S.A. 2003-06-12 US claimed
WO-2003008398-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2003-01-30 WO claimed
US-7169782-B2 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2007-01-30 US disclosed
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof EURO-CELTIQUE S.A. (LU) 2004-09-09 US disclosed
EP-1417187-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2004-05-12 EP disclosed
US-20030109521-A1 Aryl substituted thiazolidinones and the use thereof EURO-CELTIQUE, S.A. 2003-06-12 US disclosed
WO-2003008398-A1 ARYL SUBSTITUTED THIAZOLIDINONES AND THE USE THEREOF EURO-CELTIQUE S.A. (LU) 2003-01-30 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-20030109521-A1 Aryl substituted thiazolidinones and the use thereof CACNA1S, CACNA1I, CACNA1C NPSR1 873/4885ALDH1A1 15/4885LMNA 730/4885
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof CACNA1S, CACNA1I, NLN NPSR1 1129/4885ALDH1A1 26/4885LMNA 702/4885

“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.