SCHEMBL809980

SCHEMBL809980

CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ccnc3nn(C)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.39
BLM P54132 3/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 3/20 0.37
JAK2 O60674 1/20 0.36
NPC1 O15118 2/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.35
KDR P35968 1/20 0.35
POLB P06746 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA2B P29275 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
SCHEMBL811358 0.86 MAPKAPK2 (0.36) ALDH1A1MAPTBLMMEN1KMT2A
SCHEMBL2969920 0.85 BLM (0.41) ALDH1A1MAPTBLMAURKAAURKB
SCHEMBL2016780 0.83 AURKA (0.40) ALDH1A1MAPTBLMAURKAAURKB
SCHEMBL2023477 0.83 AURKA (0.41) ALDH1A1MAPTBLMAURKAAURKB
SCHEMBL2961423 0.81 AURKA (0.40) ALDH1A1MAPTBLMAURKAAURKB
SCHEMBL2961153 0.80 SREBF2 (0.44) ALDH1A1MAPTBLMAURKAAURKB
SCHEMBL2957108 0.80 AURKA (0.43) ALDH1A1MAPTBLMAURKAAURKB
SCHEMBL2018147 0.79 AURKA (0.39) ALDH1A1MAPTBLMAURKAAURKB
SCHEMBL2964378 0.79 SYK (0.41) ALDH1A1MAPTAURKAAURKBSMN1; SMN2
SCHEMBL2968098 0.79 SREBF2 (0.39) ALDH1A1MAPTBLMAURKAAURKB

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 7 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
CN-101443334-A Anti-viral compounds ABBOTT LAB (US) 2009-05-27 CN 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 ALDH1A1 2723/4885MAPT 1347/4885BLM 1449/4885

“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.