SCHEMBL810229

SCHEMBL810229

CC(=O)Nc1ccc(Sc2ccc(C)cc2Nc2ncnc3ncccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIM1 P11309 1/20 0.41
AKT2 P31751 1/20 0.41
ABCG2 Q9UNQ0 2/20 0.40
EGFR P00533 2/20 0.40
TP53 P04637 2/20 0.39
BLM P54132 1/20 0.39
TNNI3K Q59H18 1/20 0.39
BRAF P15056 2/20 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
SCHEMBL2969920 0.87 BLM (0.41) KDM4EHPGDSMN1; SMN2MEN1NPC1
SCHEMBL810693 0.86 PIM1 (0.52) KDM4EMEN1GAAKMT2AHSD17B10
SCHEMBL2018773 0.86 AURKA (0.42) KDM4EHPGDSMN1; SMN2MEN1NPC1
SCHEMBL810196 0.85 PIM1 (0.44) KDM4ENPC1MAPTRAB9AHSD17B10
SCHEMBL810785 0.85 PIM1 (0.45) KDM4EHPGDSMN1; SMN2MEN1NPC1
SCHEMBL810155 0.84 PIM1 (0.44) KDM4EHPGDSMN1; SMN2MEN1NPC1
SCHEMBL810616 0.84 PIM1 (0.44) KDM4EHPGDSMN1; SMN2MEN1NPC1
SCHEMBL810610 0.84 PIM1 (0.42) KDM4EHPGDSMN1; SMN2MEN1NPC1
SCHEMBL810722 0.82 PIM1 (0.41) KDM4EHPGDSMN1; SMN2MEN1NPC1
SCHEMBL811136 0.82 PIM1 (0.41) KDM4EHPGDSMN1; SMN2MEN1NPC1

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 4 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
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US 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 KDM4E 1822/4885HPGD 3704/4885SMN1; SMN2 3135/4885

“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.