SCHEMBL5403565

SCHEMBL5403565

CC(C1CCCCN1)N1C(=O)CSC1c1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLR1A O95602 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
SHMT2 P34897 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 4/20 0.36
CYP2D6 P10635 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL5417245 0.88 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL5404025 0.85 SLC6A3 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL5418659 0.81 SLC6A2 (0.43) CYP2C19SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5392573 0.81 HTR7 (0.44)
SCHEMBL5402981 0.80 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL5402539 0.80 MDM2 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL5406382 0.79 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL5408891 0.79 ALDH1A1 (0.37) CYP2C19SLC6A2SLC6A4SLC6A3
SCHEMBL5398635 0.78 KCNA5 (0.40) SMN1; SMN2
SCHEMBL5398006 0.76 KCNA5 (0.40) SLC6A2SLC6A4SLC6A3

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-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 POLR1A 2399/4885CYP1A2 1236/4885CYP2C19 3051/4885
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof CACNA1S, CACNA1I, NLN POLR1A 2489/4885CYP1A2 1316/4885CYP2C19 3102/4885

“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.