SCHEMBL2960341

SCHEMBL2960341

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.67
LMNA P02545 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
HPGD P15428 4/20 0.66
KMT2A Q03164 3/20 0.66
ALDH1A1 P00352 3/20 0.66
MEN1 O00255 1/20 0.60
POLB P06746 1/20 0.57
MAPT P10636 3/20 0.54
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.52
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
HPSE Q9Y251 1/20 0.49
RAB9A P51151 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
SCHEMBL2016906 0.88 PDE7A (0.68) PDE7ALMNASMN1; SMN2HPGDKMT2A
SCHEMBL2023299 0.88 PDE7A (0.68) PDE7ALMNASMN1; SMN2HPGDKMT2A
SCHEMBL2016083 0.87 ALDH1A1 (0.67) PDE7ALMNASMN1; SMN2HPGDKMT2A
SCHEMBL2969780 0.86 KMT2A (0.56) PDE7ALMNASMN1; SMN2HPGDKMT2A
SCHEMBL2968600 0.86 PDE7A (0.62) PDE7ALMNASMN1; SMN2HPGDKMT2A
SCHEMBL5863266 0.85 PDE7A (0.82) PDE7ALMNASMN1; SMN2HPGDKMT2A
SCHEMBL29780387 0.85 PDE7A (0.82) PDE7ALMNASMN1; SMN2HPGDKMT2A
SCHEMBL9657497 0.84 KMT2A (0.54) PDE7ALMNASMN1; SMN2HPGDKMT2A
SCHEMBL2968268 0.83 MEN1 (0.67) PDE7ALMNASMN1; SMN2KMT2AALDH1A1
SCHEMBL810516 0.83 PDE7A (0.74) PDE7ALMNASMN1; SMN2HPGDKMT2A

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 4223/4885LMNA 3252/4885SMN1; SMN2 3135/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885LMNA 3252/4885SMN1; 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.