SCHEMBL3309635

SCHEMBL3309635

[CH2][C@@H]1CSCN1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
RECQL P46063 1/20 0.49
HCRTR1 O43613 9/20 0.43
HCRTR2 O43614 9/20 0.43
BCAT2 O15382 1/20 0.41
LMNA P02545 3/20 0.41
SCN1A P35498 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41
SLC6A7 Q99884 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3307921 0.81 TSHR (0.47) TSHRRECQLHCRTR1HCRTR2BCAT2
SCHEMBL3307922 0.80 TSHR (0.46) TSHRRECQLHCRTR1HCRTR2BCAT2
SCHEMBL3314868 0.72 HCRTR1 (0.41) TSHRRECQLHCRTR1HCRTR2LMNA
SCHEMBL3309753 0.72 SLC6A4 (0.42) TSHRRECQLHCRTR1HCRTR2BCAT2
SCHEMBL202879 0.71 ACE (0.44) LMNA
SCHEMBL3311710 0.71 HCRTR1 (0.45) TSHRRECQLHCRTR1HCRTR2LMNA
SCHEMBL3318857 0.71 HCRTR1 (0.40) TSHRRECQLHCRTR1HCRTR2LMNA
SCHEMBL3312345 0.70 CDK4 (0.42) TSHRRECQLHCRTR1HCRTR2ALDH1A1
SCHEMBL3318429 0.70 MMP9 (0.42) HCRTR1HCRTR2GAASMN1; SMN2NPSR1
SCHEMBL3318435 0.69 POLB (0.40) HCRTR1HCRTR2LMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236964-B2 Thiazolidine derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-08-07 US disclosed
US-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-06 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-20100113531-A1 THIAZOLIDINE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS HCRTR1, HCRTR2, NPY1R TSHR 37/4885RECQL 3949/4885HCRTR1 1/4885

“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.