SCHEMBL4300629

SCHEMBL4300629

CN(C)c1ccc(C#N)cc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.47
ALB P02768 1/20 0.47
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP2A6 P11509 3/20 0.37
PGR P06401 2/20 0.36
APP P05067 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A3 Q01959 2/20 0.33
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32

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
SCHEMBL8651599 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTCYP2A6
SCHEMBL1550258 0.78 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPTCYP2A6
SCHEMBL4303693 0.76 AR (0.42) ALDH1A1KDM4EGAAMAPTCYP2A6
SCHEMBL2336886 0.76 GAA (0.50) ALDH1A1KDM4EGAAMAPTCYP2A6
SCHEMBL1778656 0.76 MEN1 (0.42) TTRALBALDH1A1KDM4EGAA
SCHEMBL4303251 0.76 JAK2 (0.37) ALDH1A1KDM4EGAAMAPTCYP2A6
SCHEMBL21687453 0.73 TTR (0.52) TTRALBALDH1A1CYP2A6IMPDH2
SCHEMBL3281432 0.73 AR (0.49) ALDH1A1KDM4EAPPSLC6A4CA2
SCHEMBL171718 0.72 TTR (0.52) TTRALBALDH1A1CYP2A6IMPDH2
SCHEMBL2521954 0.72 TTR (0.40) TTRALB

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 TTR 4000/4885ALB 4048/4885ALDH1A1 2705/4885

“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.