SCHEMBL810604

SCHEMBL810604

CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(OCc3ccccc3)cc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GAA P10253 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46
LMNA P02545 1/20 0.46
LTA4H P09960 1/20 0.44
ADAMTS4 O75173 1/20 0.43
AR P10275 1/20 0.43
HTT P42858 1/20 0.43
BCL2 P10415 2/20 0.42
MCL1 Q07820 1/20 0.42
ABCC9 O60706 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
PKM P14618 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
SCHEMBL5069003 0.91 MAPT (0.45) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL810853 0.85 RAB9A (0.51) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL27743926 0.84 MAPT (0.53) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL1180826 0.84 MAPT (0.52) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL811427 0.84 HTT (0.48) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL811265 0.83 L3MBTL1 (0.48) MAPTMEN1KMT2ARAB9AGAA
SCHEMBL13305747 0.80 MAPT (0.47) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL27743924 0.80 MAPT (0.44) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL18687367 0.79 CTSV (0.53) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL1478058 0.79 ALDH1A1 (0.53) MAPTMEN1KMT2ASMN1; SMN2GAA

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 MAPT 1347/4885MEN1 4571/4885KMT2A 3566/4885

“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.