SCHEMBL2175022

SCHEMBL2175022

COCCCOc1cc(/C=C/c2ccc(OC)cc2)cc(C(=O)Nc2cnccn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA4 P43681 1/20 0.53
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
FFAR1 O14842 1/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
GCK P35557 5/20 0.47
TSHR P16473 1/20 0.45
HDAC3 O15379 1/20 0.44
STAT3 P40763 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44

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
SCHEMBL2179286 0.93 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL2179331 0.91 GCK (0.56) CHRNB2CHRNB4CHRNA3CHRNA4GCK
SCHEMBL2178520 0.91 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4GCK
SCHEMBL2178062 0.90 GCK (0.49) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL2175024 0.87 GCK (0.63) GCK
SCHEMBL2175884 0.86 GCK (0.59) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL2180450 0.85 GCK (0.58) CHRNB2CHRNB4CHRNA3CHRNA4GCK
SCHEMBL2180211 0.85 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4POLB
SCHEMBL2179961 0.85 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E
SCHEMBL2179693 0.84 GCK (0.47) CHRNB2CHRNB4CHRNA3CHRNA4KDM4E

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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US claimed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 WO claimed
US-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2012-07-12 US disclosed
WO-2011081280-A2 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2011-07-07 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-20120178765-A1 NOVEL GLUCOKINASE ACTIVATORS AND PROCESSES FOR THE PREPARATION THEREOF GCK, GCKR, HK1 CHRNB2 4724/4885CHRNB4 4805/4885CHRNA3 4808/4885

“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.