SCHEMBL4305897

SCHEMBL4305897

CCN(C(C)=O)c1ccc(C#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.64
MLYCD O95822 1/20 0.53
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HCRTR2 O43614 1/20 0.43
GLA P06280 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.42
CYP2A6 P11509 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GABRA1 P14867 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
SCHEMBL4490019 0.81 PGR (0.47) PGRMLYCDMEN1NPC1KMT2A
SCHEMBL7877337 0.81 PGR (0.47) PGRMLYCDMEN1NPC1KMT2A
SCHEMBL11467913 0.81 PGR (0.47) PGRMLYCDMEN1NPC1KMT2A
SCHEMBL5036230 0.80 KDM4E (0.51) PGRALDH1A1GLATSHRMAPT
SCHEMBL4498494 0.79 PGR (0.45) PGRMLYCDMEN1NPC1KMT2A
SCHEMBL38651897 0.78 MLYCD (0.50) PGRMLYCDMEN1NPC1KMT2A
SCHEMBL4478516 0.78 PGR (0.44) PGRMLYCDMEN1NPC1KMT2A
Water SCHEMBL27256325 0.77 ALDH1A1 (0.70) MEN1KMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL10282142 0.77 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1GLA
SCHEMBL1705319 0.77 CA2 (0.45) PGRMMP2MMP3ALDH1A1MAPT

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 PGR 2630/4885MLYCD 2323/4885MEN1 2763/4885

“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.