SCHEMBL3064950

SCHEMBL3064950

Nc1ccc(-c2nc3ccccc3s2)cc1OC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.60
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
KDM4E B2RXH2 9/20 0.53
RAB9A P51151 9/20 0.53
MAPT P10636 8/20 0.53
NPC1 O15118 8/20 0.53
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
HPGD P15428 4/20 0.53
GLA P06280 3/20 0.53
GAA P10253 3/20 0.53
PPARG P37231 1/20 0.53
NCOA2 Q15596 1/20 0.53
NCOA1 Q15788 1/20 0.53

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
SCHEMBL4602210 0.83 KDM4E (0.71) APPMMP9MMP8KDM4ERAB9A
SCHEMBL3064946 0.82 MAPT (0.51) APPMMP9MMP8KDM4ERAB9A
SCHEMBL8397672 0.82 APP (0.54) APPMMP9MMP8KDM4ERAB9A
SCHEMBL7836371 0.79 APP (0.75) APPMMP9MMP8KDM4ERAB9A
SCHEMBL22389485 0.78 RAB9A (0.66) APPMMP9MMP8KDM4ERAB9A
SCHEMBL4592891 0.78 APP (0.69) APPMMP9MMP8KDM4ERAB9A
SCHEMBL8397690 0.78 APP (0.73) APPMMP9MMP8KDM4ERAB9A
SCHEMBL22015632 0.76 MAPT (0.49) APPKDM4ERAB9AMAPTNPC1
SCHEMBL12227064 0.75 APP (0.69) APPMMP9MMP8KDM4ERAB9A
SCHEMBL1978135 0.75 APP (0.69) APPMMP9MMP8KDM4ERAB9A

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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-10-21 US disclosed
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS 4SC AG (DE) 2010-02-25 US disclosed
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors 4SC AG (DE) 2010-01-07 US disclosed
EP-1910349-A1 2-ARYLBENZOTHIAZOLES AND USES THEREOF 4SC AG (DE) 2008-04-16 EP disclosed
WO-2007009524-A1 2-ARYLBENZOTHIAZOLES AND USES THEREOF 4SC AG (DE) 2007-01-25 WO disclosed
US-20070021446-A1 2-arylbenzothiazole analogues and uses thereof 4SC AG (DE) 2007-01-25 US disclosed
EP-1746096-A1 2-Arylbenzothiazole analogues and uses thereof in the treatment of cancer 4SC AG (DE) 2007-01-24 EP disclosed
EP-1746096-A1 2-Arylbenzothiazole analogues and uses thereof in the treatment of cancer 4SC AG (DE) 2007-01-24 EP 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 (4 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-20100267717-A1 Novel Heterocyclic NF-kB Inhibitors NFKB2, NFKBIA, NFRKB APP 2855/4885MMP9 3077/4885MMP8 375/4885
US-20100048574-A1 NOVEL HETEROCYCLIC NF-kB INHIBITORS NFKBIA, IKBKB, NFKB2 APP 2113/4885MMP9 1883/4885MMP8 1290/4885
US-20070021446-A1 2-arylbenzothiazole analogues and uses thereof NR2E1, NR2E3, NR0B2 APP 2819/4885MMP9 4343/4885MMP8 3150/4885
US-20100004258-A1 Novel Heterocyclic NF-kB Inhibitors NFKBIA, IKBKB, NFKB2 APP 2189/4885MMP9 1778/4885MMP8 1273/4885

“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.