SCHEMBL416362

SCHEMBL416362

Cc1cnc(-c2ccc(C(C)(C)C)cc2)[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.46
SMPD3 Q9NY59 1/20 0.42
KIF11 P52732 2/20 0.42
TNKS O95271 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
HDAC4 P56524 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SCN2A Q99250 2/20 0.41
PARP1 P09874 1/20 0.41
RARB P10826 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
COMT P21964 1/20 0.41
DGAT1 O75907 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL23736196 0.84 SCN2A (0.59) SMPD3KIF11TNKSTNKS2HDAC4
SCHEMBL7700050 0.77 TRPV1 (0.50) SMPD3TNKSTNKS2HDAC4NPC1
SCHEMBL18731402 0.77 HDAC4 (0.47) SMPD3TNKSTNKS2HDAC4NPC1
SCHEMBL23736202 0.77 SCN2A (0.56) SMPD3TNKSTNKS2HDAC4NPC1
SCHEMBL236656 0.76 SCN2A (0.61) SMPD3HDAC4SCN2A
SCHEMBL27910103 0.75 SCN2A (0.58) SCN2ATRPV1
SCHEMBL11371985 0.75 NPY5R (0.55) SMPD3HDAC4NPC1RAB9ASCN2A
SCHEMBL23736188 0.74 SCN2A (0.61) SMPD3NPC1RAB9ASCN2ASMN1; SMN2
SCHEMBL27836624 0.74 SCN2A (0.52) HDAC6TNKSTNKS2SCN2APARP1
SCHEMBL12498267 0.73 SMPD3 (0.45) SMPD3HDAC4SCN2A

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 9 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-20220000874-A1 TRICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2022-01-06 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-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 (3 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-20220000874-A1 TRICYCLIC COMPOUNDS SLC10A1, PKD1, CEL HDAC6 12/4885SMPD3 928/4885KIF11 1584/4885
US-20090291967-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HDAC6 767/4885SMPD3 2678/4885KIF11 3066/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 HDAC6 767/4885SMPD3 2678/4885KIF11 3066/4885

“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.