SCHEMBL3047151

SCHEMBL3047151

CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
HPGD P15428 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 2/20 0.56
PLK1 P53350 1/20 0.54
LMNA P02545 2/20 0.52
POLB P06746 2/20 0.51
ALDH1A1 P00352 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALOX12 P18054 1/20 0.51
RAB9A P51151 1/20 0.51
CES1 P23141 1/20 0.50
TRPA1 O75762 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
CA1 P00915 1/20 0.49

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
SCHEMBL223451 0.90 MAPT (0.63) MAPTL3MBTL1MEN1KMT2AMAPK1
SCHEMBL18837900 0.85 MAPT (0.58) MAPTL3MBTL1MEN1KMT2AMAPK1
SCHEMBL29186374 0.79 MAPT (0.48) MAPTL3MBTL1MEN1KMT2AHPGD
SCHEMBL27815181 0.79 MAPT (0.67) MAPTL3MBTL1MEN1KMT2AMAPK1
SCHEMBL4163474 0.78 MAPT (0.79) MAPTMEN1KMT2AHPGDHTT
SCHEMBL3328543 0.78 MAPT (0.79) MAPTMEN1KMT2AHPGDHTT
SCHEMBL11768264 0.78 MEN1 (0.69) MAPTMEN1KMT2AHPGDHTT
SCHEMBL3079331 0.78 TSHR (0.79) MAPTMEN1KMT2AHPGDHTT
Diphenylether SCHEMBL6868881 0.77 FFAR1 (0.62) MAPTL3MBTL1MEN1KMT2AHPGD
SCHEMBL8934655 0.76 MAPT (0.76) MAPTMEN1KMT2AHPGDHTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338605-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-12-25 US disclosed
US-20100256139-A1 Anti-Viral Compounds ABBOTT LABORATORIES (US) 2010-10-07 US disclosed
EP-1979349-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2010-07-28 EP disclosed
US-7763731-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2010-07-27 US disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
EP-1979349-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-10-15 EP disclosed
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
WO-2007076035-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 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 (2 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-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885L3MBTL1 2884/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885L3MBTL1 2884/4885MEN1 4571/4885

“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.