SCHEMBL811196

SCHEMBL811196

COc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(SCc4ccccc4)ncc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
AKT2 P31751 1/20 0.45
MAPT P10636 7/20 0.39
ALDH1A1 P00352 5/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GAA P10253 2/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
METAP2 P50579 1/20 0.38
HTT P42858 3/20 0.38
NCOA1 Q15788 1/20 0.37

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
SCHEMBL811281 0.93 PIM1 (0.43) PIM1AKT2MAPTALDH1A1HPGD
SCHEMBL811189 0.92 PIM1 (0.42) PIM1AKT2MAPTALDH1A1HPGD
SCHEMBL810498 0.90 PIM1 (0.41) PIM1AKT2MAPTTP53HTT
SCHEMBL810145 0.88 PIM1 (0.39) PIM1AKT2MAPTALDH1A1HPGD
SCHEMBL810609 0.87 MAPT (0.41) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL810446 0.86 PIM1 (0.48) PIM1AKT2MAPTHPGDNPC1
SCHEMBL810905 0.85 PIM1 (0.42) PIM1AKT2MAPTALDH1A1HPGD
SCHEMBL810685 0.85 PIM1 (0.46) PIM1AKT2MAPTTP53HTT
SCHEMBL811092 0.84 MAPT (0.40) MAPTALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL810994 0.83 PIM1 (0.40) PIM1AKT2ALDH1A1SMN1; SMN2NPC1

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 PIM1 2963/4885AKT2 3903/4885MAPT 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.