SCHEMBL417834

SCHEMBL417834

Cn1nc(S)nc1-c1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.54
TMEM97 Q5BJF2 3/20 0.45
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 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
KIF11 P52732 1/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 1/20 0.39
MEN1 O00255 1/20 0.38

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
SCHEMBL418954 0.72 RAB9A (0.47) SIGMAR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30057760 0.70 SIGMAR1 (1.00) SIGMAR1TMEM97
SCHEMBL1544151 0.70 ALDH1A1 (0.49) SIGMAR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22095642 0.69 SIGMAR1 (0.83) SIGMAR1TMEM97
SCHEMBL22095049 0.69 SIGMAR1 (0.97) SIGMAR1TMEM97
SCHEMBL30056744 0.69 SIGMAR1 (0.67) SIGMAR1TMEM97
SCHEMBL17752219 0.68 ALDH1A1 (0.46) SIGMAR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18520834 0.68 ALDH1A1 (0.50) SIGMAR1TMEM97ALDH1A1KDM4EHPGD
SCHEMBL21705123 0.67 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10ALOX15
SCHEMBL31261250 0.67 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDHSD17B10ALOX15

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 6 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

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 SIGMAR1 1855/4885TMEM97 1910/4885ALDH1A1 2033/4885
US-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 SIGMAR1 1855/4885TMEM97 1910/4885ALDH1A1 2033/4885

“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.