SCHEMBL5742771

SCHEMBL5742771

COc1cc2cc(-c3[c]nc4ccccc4c3)sc2cc1OC

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.42
NQO2 P16083 2/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDGFRB P09619 1/20 0.40
PDGFRA P16234 1/20 0.40
HCRTR1 O43613 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
S1PR1 P21453 1/20 0.37
PDE10A Q9Y233 2/20 0.36
PGK1 P00558 1/20 0.35

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
SCHEMBL4324936 0.80 APP (0.44) NQO2ALDH1A1GLAMAPTACHE
SCHEMBL577790 0.75 ALDH1A1 (0.51) TLR8NQO2KDM4EALDH1A1MEN1
SCHEMBL252593 0.70 KDM4E (0.47) TLR8NQO2KDM4EALDH1A1MEN1
SCHEMBL2893870 0.67 RAB9A (0.46) KDM4EALDH1A1MEN1KMT2AHCRTR1
SCHEMBL2278930 0.66 NPC1 (0.51) KDM4EALDH1A1MEN1KMT2AGLA
SCHEMBL628270 0.65 ALDH1A1 (0.43) NQO2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5117776 0.65 TLR8 (0.65) TLR8NQO2KDM4EALDH1A1MEN1
SCHEMBL523809 0.64 RAB9A (0.44) KDM4EALDH1A1MEN1KMT2AHCRTR1
SCHEMBL4099996 0.64 ALDH1A1 (0.35) NQO2KDM4EALDH1A1PDGFRBPDGFRA
SCHEMBL4724198 0.63 TLR8 (0.49) TLR8KDM4EALDH1A1MEN1KMT2A

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
EP-1358183-B1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2006-04-12 EP disclosed
US-20050070598-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2005-03-31 US disclosed
US-20040229915-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2004-11-18 US disclosed
EP-1358183-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2003-11-05 EP disclosed
US-20030186962-A1 Cysteine protease inhibitors MEDIVIR AB (SE) 2003-10-02 US disclosed
WO-2002088106-A2 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2002-11-07 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 (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-20030186962-A1 Cysteine protease inhibitors C1R, CTSS, CTSZ TLR8 3729/4885NQO2 670/4885KDM4E 2985/4885
US-20050070598-A1 Cysteine protease inhibitors CTRL, CTSZ, CTSS TLR8 3458/4885NQO2 1434/4885KDM4E 2323/4885
US-20040229915-A1 Cysteine protease inhibitors C1R, CTRL, CTSK TLR8 4280/4885NQO2 482/4885KDM4E 2958/4885

“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.