SCHEMBL2962809

SCHEMBL2962809

CC(O)c1cccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.54
MAPT P10636 7/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 7/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
EPAS1 Q99814 1/20 0.42
CHEK2 O96017 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TBXA2R P21731 1/20 0.41

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
SCHEMBL2966145 0.86 PDE7A (0.65) PDE7AMAPTMEN1KMT2ATDP1
SCHEMBL27708858 0.81 HPSE (0.53) PDE7AMAPTMEN1KMT2ATDP1
SCHEMBL2957209 0.79 PDE7A (0.74) PDE7AMAPTMEN1KMT2ATDP1
SCHEMBL2969780 0.79 KMT2A (0.56) PDE7AMAPTMEN1KMT2ATDP1
SCHEMBL2020498 0.79 PDE7A (0.73) PDE7AMAPTMEN1KMT2ATDP1
SCHEMBL31090820 0.79 PDE7A (0.73) PDE7AMAPTMEN1KMT2ATDP1
SCHEMBL2965348 0.78 L3MBTL1 (0.63) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL2966318 0.78 MRGPRX4 (0.67) PDE7AMAPTMEN1KMT2ATDP1
SCHEMBL2959834 0.78 PDE7A (0.56) PDE7AMAPTMEN1KMT2ATDP1
SCHEMBL2957213 0.78 PDE7A (0.56) PDE7AMAPTMEN1KMT2ATDP1

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 1347/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885MAPT 1347/4885MEN1 4571/4885

“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.