SCHEMBL416443

SCHEMBL416443

CC(C)(C)c1ccc(-c2nnc(-c3ccccn3)[nH]2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 2/20 0.53
TRPV1 Q8NER1 2/20 0.51
RAB9A P51151 3/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TNKS O95271 1/20 0.43
TNKS2 Q9H2K2 1/20 0.43
NPY5R Q15761 1/20 0.42
AURKA O14965 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
CBFB Q13951 2/20 0.41

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
SCHEMBL28043674 0.85 CBFB (0.53) METAP2TRPV1ALDH1A1NPSR1TNKS
SCHEMBL416514 0.82 HDAC6 (0.56) RAB9APOLBHDAC6TNKSTNKS2
SCHEMBL12438899 0.82 NPY5R (0.59) METAP2RAB9AALDH1A1MAPTHPGD
SCHEMBL418267 0.81 KIF11 (0.44) METAP2TRPV1RAB9AMAPTHDAC6
SCHEMBL416418 0.80 HDAC6 (0.54) RAB9APOLBHDAC6TNKSTNKS2
SCHEMBL38654 0.80 TRPV1 (0.66) METAP2TRPV1RAB9AALDH1A1MAPT
SCHEMBL30479907 0.80 TRPV1 (0.66) METAP2TRPV1RAB9AALDH1A1MAPT
SCHEMBL5478697 0.80 KDM4E (0.59) METAP2RAB9AALDH1A1MAPTHPGD
SCHEMBL9111577 0.80 NPY5R (0.45) METAP2RAB9AALDH1A1MAPTHPGD
SCHEMBL28205258 0.80 METAP1 (0.50) METAP2RAB9AMAPTHPGDPOLB

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 METAP2 3743/4885TRPV1 3161/4885RAB9A 100/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 METAP2 3743/4885TRPV1 3161/4885RAB9A 100/4885

“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.