SCHEMBL2018745

SCHEMBL2018745

N#Cc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 6/20 0.62
PDE7B Q9NP56 3/20 0.62
MAPT P10636 7/20 0.57
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
HTT P42858 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
VCAM1 P19320 2/20 0.53
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
GSTP1 P09211 1/20 0.48
GSTM2 P28161 1/20 0.48
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
TXNRD1 Q16881 1/20 0.45

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
SCHEMBL4255731 0.86 MAPT (0.60) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL695747 0.83 VCAM1 (0.57) PDE7APDE7BVCAM1TDP1PDE4B
SCHEMBL6519015 0.81 VCAM1 (0.62) MAPTMEN1KMT2AALDH1A1VCAM1
SCHEMBL9669403 0.80 PDE7A (0.56) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL19048971 0.80 PDE7A (0.71) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL9933797 0.79 CYP1A2 (0.57) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6039967 0.78 TXNRD1 (0.74) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL3103805 0.78 VCAM1 (0.51) PDE7APDE7BVCAM1TDP1PDE4B
SCHEMBL2968440 0.77 PDE7A (0.68) PDE7APDE7BMAPTMEN1KMT2A
SCHEMBL6743647 0.77 PDE7A (0.73) PDE7APDE7BMAPTMEN1KMT2A

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 12 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-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 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-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885PDE7B 4176/4885MAPT 1347/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885PDE7B 4176/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885PDE7B 4176/4885MAPT 1347/4885

“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.