SCHEMBL2968268

SCHEMBL2968268

CC(=O)Nc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
GAA P10253 4/20 0.67
PKM P14618 1/20 0.67
ALDH3A1 P30838 1/20 0.65
PDE7A Q13946 1/20 0.62
LMNA P02545 3/20 0.60
POLB P06746 1/20 0.60
ESRRA P11474 1/20 0.52
MAPT P10636 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
PLA2G7 Q13093 1/20 0.51
SMN1; SMN2 Q16637 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
SCHEMBL11839569 0.88 PDE7A (0.60) MEN1KMT2AGAAPKMALDH3A1
SCHEMBL2960341 0.83 PDE7A (0.67) MEN1KMT2APDE7ALMNAPOLB
SCHEMBL29780387 0.82 PDE7A (0.82) MEN1KMT2APDE7ALMNAPOLB
SCHEMBL5863266 0.82 PDE7A (0.82) MEN1KMT2APDE7ALMNAPOLB
SCHEMBL5577004 0.82 KMT2A (0.62) MEN1KMT2AGAAPKMALDH3A1
SCHEMBL15223386 0.81 MEN1 (0.68) MEN1KMT2AGAAPKMPOLB
SCHEMBL29255944 0.81 HTT (0.64) MEN1KMT2AGAAPKMALDH3A1
SCHEMBL2016083 0.81 ALDH1A1 (0.67) MEN1KMT2APDE7ALMNAPOLB
SCHEMBL11833629 0.81 PDE7A (0.53) MEN1KMT2AGAAPKMALDH3A1
SCHEMBL2968600 0.80 PDE7A (0.62) MEN1KMT2APDE7ALMNAPOLB

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
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
US-20070161677-A1 Bisarylurea derivatives MERCK PATENT GMBH (DE) 2007-07-12 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 (3 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-20070161677-A1 Bisarylurea derivatives BRAF, RAF1, NRAS MEN1 1579/4885KMT2A 1891/4885GAA 1401/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885GAA 504/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MEN1 4571/4885KMT2A 3566/4885GAA 504/4885

“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.