SCHEMBL4301042

SCHEMBL4301042

COc1cc(N(C)C)ccc1C(N)=S

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
HPGD P15428 3/20 0.67
RAD52 P43351 1/20 0.67
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MAPT P10636 6/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
TLR9 Q9NR96 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HSD17B10 Q99714 3/20 0.43
GAA P10253 4/20 0.42
NQO2 P16083 1/20 0.42
CYP2C9 P11712 1/20 0.41
BACE1 P56817 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
SCHEMBL12970697 0.83 LMNA (0.57) ALDH1A1HPGDRAD52KMT2AMEN1
SCHEMBL10473353 0.80 MEN1 (0.54) ALDH1A1HPGDRAD52KMT2AMEN1
SCHEMBL11708561 0.80 ALDH1A1 (1.00) ALDH1A1HPGDRAD52KMT2ALMNA
SCHEMBL10473282 0.77 MEN1 (0.51) ALDH1A1HPGDRAD52KMT2AMEN1
SCHEMBL27908567 0.77 LMNA (0.59) ALDH1A1HPGDKMT2AMEN1CYP2C19
SCHEMBL1107760 0.77 NQO2 (0.63) ALDH1A1HPGDKMT2AMEN1CYP2C19
SCHEMBL4301391 0.77 ALDH1A1 (0.43) ALDH1A1HPGDRAD52KMT2AMEN1
SCHEMBL7346732 0.76 LMNA (0.57) ALDH1A1HPGDKMT2AMEN1CYP2C19
SCHEMBL17085567 0.76 ALDH1A1 (0.51) ALDH1A1HPGDKMT2AMAPTMAPK1
SCHEMBL4303699 0.76 ALDH1A1 (0.38) ALDH1A1HPGDRAD52KMT2AMEN1

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 4 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
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
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 2705/4885HPGD 2554/4885RAD52 2916/4885

“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.