SCHEMBL5403560

SCHEMBL5403560

O=C1CSC(c2ccc3ccccc3c2)N1CCC1CCCCN1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
KCNA5 P22460 2/20 0.39
CACNA1B Q00975 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPY1R P25929 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL5417237 0.87 KMT2A (0.44) CYP2C9CYP2C19PTGS1PTGS2MEN1
SCHEMBL5404020 0.84 LTA4H (0.44) PTGS1PTGS2CACNA1BKMT2AALDH1A1
SCHEMBL5392936 0.81 KMT2A (0.41) KCNA5CACNA1BMEN1KMT2ANPY1R
SCHEMBL5392572 0.80 LTA4H (0.50) PTGS1PTGS2KCNA5MEN1KMT2A
SCHEMBL5406376 0.79 MAPT (0.43) PTGS1PTGS2KCNA5NPY1R
SCHEMBL5402972 0.79 ACHE (0.43) CYP2D6PTGS1PTGS2KMT2ANPY1R
SCHEMBL5402531 0.79 LTA4H (0.45) PTGS1PTGS2NPY1R
SCHEMBL5418655 0.79 PTGS1 (0.51) PTGS1PTGS2KCNA5SMN1; SMN2MEN1
SCHEMBL5398626 0.78 KCNH2 (0.42) KCNA5CACNA1BMEN1KMT2AALDH1A1
SCHEMBL5407260 0.78 CACNA1B (0.49) PTGS1PTGS2CACNA1B

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 CYP1A2 1236/4885CYP3A4 2451/4885CYP2D6 400/4885
US-20040176364-A1 Aryl substituted thiazinidinones and the use thereof CACNA1S, CACNA1I, NLN CYP1A2 1316/4885CYP3A4 2349/4885CYP2D6 358/4885

“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.