SCHEMBL2021889

SCHEMBL2021889

COCCNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
PDE7A Q13946 1/20 0.55
ALDH1A1 P00352 3/20 0.54
LMNA P02545 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HPGD P15428 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 2/20 0.51
NPC1 O15118 3/20 0.50
TDP1 Q9NUW8 1/20 0.49
RAB9A P51151 1/20 0.48
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL2960381 0.90 PDE7A (0.56) MAPTPDE7AALDH1A1LMNASMN1; SMN2
SCHEMBL2968600 0.84 PDE7A (0.62) MAPTPDE7AALDH1A1LMNASMN1; SMN2
SCHEMBL2016083 0.83 ALDH1A1 (0.67) MAPTPDE7AALDH1A1LMNASMN1; SMN2
SCHEMBL2017431 0.82 HPGD (0.52) MAPTALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL2960341 0.80 PDE7A (0.67) MAPTPDE7AALDH1A1LMNASMN1; SMN2
SCHEMBL7507616 0.79 PRMT5 (0.58) MAPTPDE7AALDH1A1LMNASMN1; SMN2
SCHEMBL2957636 0.79 LMNA (0.56) MAPTPDE7AALDH1A1LMNASMN1; SMN2
SCHEMBL2016906 0.79 PDE7A (0.68) MAPTPDE7AALDH1A1LMNASMN1; SMN2
SCHEMBL2023299 0.79 PDE7A (0.68) MAPTPDE7AALDH1A1LMNASMN1; SMN2
SCHEMBL2961786 0.77 PDE7A (0.74) MAPTPDE7AALDH1A1LMNASMN1; SMN2

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 MAPT 1347/4885PDE7A 4223/4885ALDH1A1 2723/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885PDE7A 4223/4885ALDH1A1 2723/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 MAPT 1347/4885PDE7A 4223/4885ALDH1A1 2723/4885

“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.