SCHEMBL2961786

SCHEMBL2961786

COc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.74
MAPT P10636 8/20 0.58
SMN1; SMN2 Q16637 5/20 0.55
LMNA P02545 5/20 0.55
ALDH1A1 P00352 5/20 0.55
HPGD P15428 4/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
MERTK Q12866 1/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 2/20 0.52
HSPB1 P04792 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PAX8 Q06710 1/20 0.50
KDM4E B2RXH2 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
SCHEMBL5863266 0.91 PDE7A (0.82) PDE7AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL29780387 0.91 PDE7A (0.82) PDE7AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL1299058 0.88 PDE7A (0.57) PDE7AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL11475236 0.86 PDE7A (0.76) PDE7AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL2957209 0.85 PDE7A (0.74) PDE7AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL810516 0.85 PDE7A (0.74) PDE7AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL31090820 0.84 PDE7A (0.73) PDE7AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL2020498 0.84 PDE7A (0.73) PDE7AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL10825112 0.84 PDE7A (0.68) PDE7AMAPTSMN1; SMN2LMNAALDH1A1
SCHEMBL29485957 0.84 LMNA (0.59) PDE7AMAPTSMN1; SMN2LMNAALDH1A1

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 7 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
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 PDE7A 4223/4885MAPT 1347/4885SMN1; SMN2 3135/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885MAPT 1347/4885SMN1; SMN2 3135/4885

“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.