SCHEMBL4304154

SCHEMBL4304154

CN(C)c1ccc(SN)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.58
▸ TSHR P16473 5/20 0.58
▸ ALOX15 P16050 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ MAPK1 P28482 4/20 0.52
▸ CYP3A4 P08684 3/20 0.52
▸ TDP1 Q9NUW8 2/20 0.52
▸ TP53 P04637 2/20 0.52
▸ MAPT P10636 3/20 0.52
▸ ADRA2A P08913 2/20 0.41
▸ ADRA2B P18089 2/20 0.41
▸ ADRA2C P18825 2/20 0.41
▸ NOX1 Q9Y5S8 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2A13 Q16696 1/20 0.41

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
SCHEMBL3186890 0.79 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL3186884 0.78 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL5701837 0.78 ALDH1A1 (0.65) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL22012134 0.77 SLC6A4 (0.33) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL65261 0.76 ALDH1A1 (1.00) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL77289 0.76 NOX1 (0.62) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL11311165 0.74 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL11125243 0.74 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL28971827 0.74 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1
SCHEMBL1817512 0.74 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10MAPK1

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-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 — — US disclosed
WO-2009120826-A1 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF WYETH (US) 2009-10-01 — — 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 (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-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof SEC63, SEC62, SEC22B ALDH1A1 2705/4885TSHR 3245/4885ALOX15 3018/4885

“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.

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