SCHEMBL421297

SCHEMBL421297

CC(C)(C)c1ccc(-c2nnc(-c3ccncc3)[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.68
GCGR P47871 2/20 0.55
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4E B2RXH2 2/20 0.42
HTR1D P28221 1/20 0.42
ADRA1A P35348 1/20 0.42
NISCH Q9Y2I1 1/20 0.42
XDH P47989 1/20 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
SCHEMBL416514 0.83 HDAC6 (0.56) KIF11NPC1RAB9AHDAC6XDH
SCHEMBL3999289 0.82 KIF11 (1.00) KIF11GCGRNPC1RAB9AHPGD
SCHEMBL415068 0.82 KIF11 (0.68) KIF11NPC1HPGDLMNATP53
SCHEMBL10000033 0.82 LMNA (0.53) GCGRNPC1RAB9AHPGDLMNA
SCHEMBL416418 0.81 HDAC6 (0.54) KIF11NPC1RAB9AHDAC6XDH
SCHEMBL15132142 0.79 KIF11 (0.44) KIF11GCGRNPC1RAB9ALMNA
SCHEMBL414390 0.79 HDAC6 (0.47) KIF11GCGRNPC1RAB9AHPGD
SCHEMBL417384 0.79 HDAC6 (0.47) KIF11GCGRNPC1RAB9ATP53
SCHEMBL418267 0.79 KIF11 (0.44) KIF11GCGRNPC1RAB9ATP53
SCHEMBL1061092 0.78 HDAC6 (0.46) KIF11GCGRNPC1RAB9ATP53

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 8 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 KIF11 3066/4885GCGR 2394/4885NPC1 3435/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 KIF11 3066/4885GCGR 2394/4885NPC1 3435/4885

“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.