SCHEMBL415167

SCHEMBL415167

CC(C)(C)c1ccc(-c2nnc(Cc3ccccc3)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
TNKS O95271 3/20 0.46
TNKS2 Q9H2K2 3/20 0.46
KMT2A Q03164 2/20 0.45
EGFR P00533 1/20 0.43
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP1 P09874 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
ALKBH3 Q96Q83 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 1/20 0.38
SCD O00767 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL416514 0.82 HDAC6 (0.56) HDAC6TNKSTNKS2EGFRPOLB
SCHEMBL416418 0.80 HDAC6 (0.54) HDAC6TNKSTNKS2POLBL3MBTL1
SCHEMBL415070 0.79 HDAC6 (0.45) HDAC6TNKSTNKS2KMT2ATP53
SCHEMBL24317085 0.78 GAA (0.50) KMT2AEGFRTSHRMAPTGAA
SCHEMBL419228 0.78 HDAC6 (0.44) HDAC6TNKSTNKS2POLBSMN1; SMN2
SCHEMBL14195570 0.78 GSK3B (0.52) POLBL3MBTL1HPGDALDH1A1GAA
SCHEMBL14027551 0.77 EGFR (0.54) HDAC6TNKSTNKS2KMT2AEGFR
SCHEMBL3245375 0.77 KMT2A (0.43) HDAC6TNKSTNKS2KMT2AEGFR
SCHEMBL418535 0.76 HDAC6 (0.43) HDAC6TNKSTNKS2KMT2ATP53
SCHEMBL414390 0.75 HDAC6 (0.47) HDAC6TNKSTNKS2KMT2APOLB

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US claimed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US claimed
EP-1948614-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-07-30 EP claimed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US claimed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO claimed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 US disclosed
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
US-20110070297-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2011-03-24 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2009-11-26 US disclosed
EP-1948614-A2 GLUCOKINASE ACTIVATORS Takeda San Diego, Inc. (US) 2008-07-30 EP disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
US-20070197532-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-08-23 US disclosed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 WO disclosed
WO-2007061923-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-05-31 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 (4 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-20070197532-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 HDAC6 1587/4885TNKS 452/4885TNKS2 527/4885
US-20110070297-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 HDAC6 1587/4885TNKS 452/4885TNKS2 527/4885
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HDAC6 767/4885TNKS 1569/4885TNKS2 1889/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HDAC6 767/4885TNKS 1569/4885TNKS2 1889/4885

“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.