SCHEMBL4302467

SCHEMBL4302467

CN(C)c1ccc(C#N)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 3/20 0.58
ALDH1A1 P00352 7/20 0.54
KDM4E B2RXH2 3/20 0.54
HTT P42858 1/20 0.54
HCAR3 P49019 1/20 0.54
MAPT P10636 11/20 0.45
MAPK1 P28482 3/20 0.45
GLA P06280 1/20 0.45
KAT2B Q92831 1/20 0.45
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 1/20 0.43
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
TDP1 Q9NUW8 2/20 0.42

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
SCHEMBL867349 0.87 VCAM1 (0.54) VCAM1ALDH1A1KDM4EHTTHCAR3
SCHEMBL16157217 0.83 ALDH3A1 (0.58) VCAM1ALDH1A1HTTHCAR3MAPT
SCHEMBL4784927 0.80 KMT2A (0.52) VCAM1ALDH1A1KDM4EHCAR3MAPT
SCHEMBL28584176 0.79 MAPT (0.50) VCAM1ALDH1A1KDM4EHTTHCAR3
SCHEMBL9725444 0.79 PIK3CD (0.47) VCAM1ALDH1A1KDM4EHTTHCAR3
SCHEMBL4477143 0.78 VCAM1 (0.70) VCAM1MAPTMAPK1KAT2BKMT2A
SCHEMBL15049708 0.77 HCAR3 (0.63) ALDH1A1KDM4EHTTHCAR3MAPT
SCHEMBL323126 0.77 VCAM1 (0.64) VCAM1ALDH1A1MAPTMAPK1KAT2B
SCHEMBL31347536 0.76 ALDH1A1 (0.50) ALDH1A1KDM4EHTTHCAR3MAPT
SCHEMBL249183 0.76 VCAM1 (0.54) VCAM1MAPTMAPK1KAT2BKMT2A

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 VCAM1 4565/4885ALDH1A1 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.