SCHEMBL414390

SCHEMBL414390

Cc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.47
KIF11 P52732 1/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 1/20 0.44
ALOX15 P16050 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
XDH P47989 1/20 0.43
TNKS O95271 2/20 0.43
TNKS2 Q9H2K2 2/20 0.43
GCGR P47871 1/20 0.42
RARB P10826 1/20 0.42
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 1/20 0.41
NPBWR1 P48145 1/20 0.41
NPC1 O15118 3/20 0.40

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
SCHEMBL419563 0.87 TNKS2 (0.48) TNKSTNKS2PARP1
SCHEMBL4242661 0.83 GFER (0.50) KIF11KDM4EPOLBTNKSTNKS2
SCHEMBL416514 0.81 HDAC6 (0.56) HDAC6KIF11POLBXDHTNKS
SCHEMBL417384 0.81 HDAC6 (0.47) HDAC6KIF11KDM4EALDH1A1XDH
SCHEMBL417139 0.79 NISCH (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL416418 0.79 HDAC6 (0.54) HDAC6KIF11POLBXDHTNKS
SCHEMBL419214 0.79 HDAC6 (0.46) HDAC6KIF11KDM4EALDH1A1XDH
SCHEMBL1061092 0.79 HDAC6 (0.46) HDAC6KIF11KDM4EALDH1A1XDH
SCHEMBL417947 0.79 HDAC6 (0.46) HDAC6KIF11KDM4EALDH1A1XDH
SCHEMBL421297 0.79 KIF11 (0.68) HDAC6KIF11KDM4EALDH1A1HPGD

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 HDAC6 767/4885KIF11 3066/4885KDM4E 2054/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HDAC6 767/4885KIF11 3066/4885KDM4E 2054/4885

“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.