SCHEMBL3105286

SCHEMBL3105286

CC1CCCCN1CCCNC(=O)c1ccc(OC2CCN(S(=O)(=O)c3ccc(-c4ccccc4)cc3)CC2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 11/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
USP5 P45974 1/20 0.46
KCNH2 Q12809 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
HTR3A P46098 2/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL13158841 0.95 CACNA1G (0.53) CACNA1GCYP3A4CYP2D6KCNH2HRH3
SCHEMBL14015184 0.92 CYP3A4 (0.45) CACNA1GKDM4EALDH1A1GLAGAA
SCHEMBL13158843 0.89 USP5 (0.50) ALDH1A1GAAUSP5LMNA
SCHEMBL12437829 0.88 CACNA1G (0.54) CACNA1GKDM4EALDH1A1GLAGAA
SCHEMBL13158840 0.85 CACNA1G (0.51) CACNA1GKDM4EALDH1A1GLAGAA
SCHEMBL12437828 0.85 CACNA1G (0.55) CACNA1GKDM4EALDH1A1GLAGAA
SCHEMBL13158844 0.84 F10 (0.49) CACNA1GALDH1A1GAAUSP5HTR3A
SCHEMBL13158839 0.83 CACNA1G (0.46) CACNA1GKDM4EALDH1A1GLAGAA
SCHEMBL12437833 0.83 CACNA1G (0.60) CACNA1GCYP2D6HTR3A
SCHEMBL12437963 0.83 CACNA1G (0.52) CACNA1GKDM4EALDH1A1GLAGAA

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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
US-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2010-09-30 US disclosed
EP-2141994-A1 MULTI-RING COMPOUNDS AND USES THEREOF Avalon Pharmaceuticals (US) 2010-01-13 EP disclosed
WO-2008133975-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2008-11-06 WO disclosed
WO-2008133975-A1 MULTI-RING COMPOUNDS AND USES THEREOF AVALON PHARMACEUTICALS (US) 2008-11-06 WO 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 (1 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-20100249111-A1 MULTI-RING COMPOUNDS AND USES THEREOF TP53, BCOR, HPGDS CACNA1G 4812/4885KDM4E 1882/4885ALDH1A1 513/4885

“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.