SCHEMBL810853

SCHEMBL810853

CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(OCc3ccccc3)cc2N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
SIRT2 Q8IXJ6 1/20 0.49
LTA4H P09960 4/20 0.48
HDAC1 Q13547 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ADAMTS4 O75173 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
NOX1 Q9Y5S8 1/20 0.42
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL810370 0.90 SIRT2 (0.49) SIRT2
SCHEMBL2968592 0.87 MEN1 (0.51) RAB9ANPC1SMN1; SMN2LTA4HMEN1
SCHEMBL810604 0.85 MAPT (0.50) RAB9ANPC1SMN1; SMN2SIRT2LTA4H
SCHEMBL810401 0.82 AURKA (0.42) SIRT2MEN1KMT2AALDH1A1AURKA
SCHEMBL27764891 0.82 KDM4E (0.41) RAB9ANPC1SMN1; SMN2LTA4HMEN1
SCHEMBL2987817 0.82 RAB9A (0.74) RAB9ANPC1SMN1; SMN2LTA4HMEN1
SCHEMBL810430 0.82 L3MBTL1 (0.52) RAB9ASIRT2MEN1KMT2AALDH1A1
SCHEMBL4379394 0.79 NPC1 (0.45) RAB9ANPC1SMN1; SMN2HDAC1ALDH1A1
SCHEMBL27764888 0.79 SPHK2 (0.40) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL13305748 0.79 MAP4K4 (0.53) HDAC1ALDH1A1AURKAAURKBMAPT

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 RAB9A 571/4885NPC1 37/4885SMN1; 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.