SCHEMBL811307

SCHEMBL811307

COc1ccc(Oc2ccc(C)cc2Nc2ncnc3nc(C)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 2/20 0.47
NCOA3 Q9Y6Q9 2/20 0.47
MAPT P10636 7/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDR P35968 1/20 0.43
PIM1 P11309 1/20 0.41
AKT2 P31751 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
EGFR P00533 2/20 0.40
LCK P06239 2/20 0.40
DYRK1A Q13627 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL811139 0.87 NCOA1 (0.44) NCOA1NCOA3MAPTHTTALDH1A1
SCHEMBL821346 0.86 NCOA1 (0.43) NCOA1NCOA3MAPTHTTALDH1A1
SCHEMBL821154 0.82 NCOA1 (0.43) NCOA1NCOA3MAPTHTTALDH1A1
SCHEMBL810650 0.82 EGFR (0.47) MAPTHTTALDH1A1MAPK1KDM4E
SCHEMBL811538 0.78 PIM1 (0.41) NCOA1NCOA3MAPTHTTALDH1A1
SCHEMBL810261 0.77 PIM1 (0.40) NCOA1NCOA3MAPTHTTALDH1A1
SCHEMBL810609 0.76 MAPT (0.41) NCOA1NCOA3MAPTHTTALDH1A1
SCHEMBL2964444 0.75 RIPK2 (0.39) MAPTKDRPIM1AKT2TP53
SCHEMBL2960952 0.74 ADORA1 (0.46) MAPTSMN1; SMN2KDRTP53HPGD
SCHEMBL810680 0.73 EGFR (0.45) MAPTHTTKDRPIM1AKT2

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 NCOA1 141/4885NCOA3 182/4885MAPT 1347/4885

“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.