SCHEMBL810609

SCHEMBL810609

COc1ccc(Oc2ccc(C)cc2Nc2ncnc3nc(SCc4ccccc4)ncc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
HSD17B10 Q99714 3/20 0.41
MAPK1 P28482 2/20 0.41
METAP2 P50579 1/20 0.39
MEN1 O00255 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
SCHEMBL811196 0.87 PIM1 (0.45) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL811189 0.80 PIM1 (0.42) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL811281 0.80 PIM1 (0.43) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL811092 0.80 MAPT (0.40) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL810145 0.78 PIM1 (0.39) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL810498 0.77 PIM1 (0.41) MAPTTP53HTTLMNA
SCHEMBL811307 0.76 NCOA1 (0.47) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL810905 0.76 PIM1 (0.42) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL810346 0.75 MAPT (0.40) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL811139 0.73 NCOA1 (0.44) MAPTALDH1A1KDM4EHPGDSMN1; SMN2

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-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885ALDH1A1 2723/4885KDM4E 1822/4885

“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.