SCHEMBL4299861

SCHEMBL4299861

COCc1cc(N(C)C)ccc1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 4/20 0.36
ALDH1A1 P00352 10/20 0.36
KDM4E B2RXH2 7/20 0.36
HSD17B10 Q99714 5/20 0.36
HPGD P15428 4/20 0.36
GAA P10253 2/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
CNR1 P21554 1/20 0.35
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CLK1 P49759 1/20 0.34
CASP7 P55210 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4301269 0.81 PSMB5 (0.42) NOS2ALDH1A1KDM4EHSD17B10GAA
SCHEMBL4296177 0.79 MAOB (0.44) NOS2ALDH1A1HPGDCNR1NOS3
SCHEMBL552171 0.76 TDP1 (0.42) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL5128513 0.76 NOS3 (0.46) NOS2ALDH1A1KDM4EHSD17B10HPGD
SCHEMBL14501770 0.75 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL4296083 0.74 ALDH1A1 (0.36) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL4308489 0.74 AR (0.50) ALDH1A1KDM4EGAAHCRTR1HCRTR2
SCHEMBL10248422 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EHSD17B10HPGDGAA
Hydrochloric Acid SCHEMBL552122 0.71 ALDH1A1 (0.38) ALDH1A1KDM4EHSD17B10HPGDGAA
SCHEMBL4300398 0.71 TSHR (0.45) ALDH1A1KDM4EHSD17B10GAATDP1

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 NOS2 4371/4885ALDH1A1 2705/4885KDM4E 3799/4885

“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.