SCHEMBL810784

SCHEMBL810784

CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ncnc3nc(C4CCCCC4)ccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.40
AKT2 P31751 1/20 0.40
ALDH1A1 P00352 3/20 0.38
BLM P54132 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SRC P12931 1/20 0.35
GSK3B P49841 1/20 0.35
AURKB Q96GD4 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL811135 0.98 PIM1 (0.40) PIM1AKT2ALDH1A1BLMKDM4E
SCHEMBL810722 0.96 PIM1 (0.41) PIM1AKT2ALDH1A1BLMKDM4E
SCHEMBL811422 0.88 PIM1 (0.50) PIM1AKT2GAAHSD17B10
SCHEMBL2966292 0.87 ALDH1A1 (0.39) ALDH1A1BLMKDM4EMAPTMEN1
SCHEMBL810711 0.86 PIM1 (0.44) PIM1AKT2KDM4EMAPTHSD17B10
SCHEMBL811349 0.86 PIM1 (0.51) PIM1AKT2GAAHSD17B10
SCHEMBL811529 0.84 PIM1 (0.52) PIM1AKT2GAAHSD17B10
SCHEMBL810785 0.83 PIM1 (0.45) PIM1AKT2ALDH1A1KDM4EMAPT
SCHEMBL810616 0.83 PIM1 (0.44) PIM1AKT2ALDH1A1BLMKDM4E
SCHEMBL810155 0.83 PIM1 (0.44) PIM1AKT2ALDH1A1BLMKDM4E

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 3903/4885ALDH1A1 2723/4885

“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.