SCHEMBL2960770

SCHEMBL2960770

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
ALDH1A1 P00352 3/20 0.57
HPGD P15428 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
PDE7A Q13946 1/20 0.53
MAPT P10636 5/20 0.53
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 5/20 0.50
LMNA P02545 5/20 0.50
POLB P06746 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.50
PAX8 Q06710 1/20 0.50
GFER P55789 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
SCHEMBL2969780 0.88 KMT2A (0.56) TDP1ALDH1A1HPGDPDE7AMAPT
SCHEMBL2970392 0.87 KMT2A (0.50) TDP1ALDH1A1PDE7AMAPTMEN1
SCHEMBL2016083 0.86 ALDH1A1 (0.67) TDP1ALDH1A1HPGDNPSR1PDE7A
SCHEMBL2959834 0.86 PDE7A (0.56) TDP1ALDH1A1PDE7AMAPTMEN1
SCHEMBL2966318 0.86 MRGPRX4 (0.67) TDP1ALDH1A1PDE7AMAPTMEN1
SCHEMBL1341586 0.86 ALDH1A1 (0.57) TDP1ALDH1A1HPGDNPSR1MAPT
SCHEMBL2971646 0.85 LMNA (0.63) TDP1ALDH1A1PDE7AMAPTMEN1
SCHEMBL2961589 0.85 PDE7A (0.52) TDP1ALDH1A1PDE7AMAPTMEN1
SCHEMBL2957636 0.82 LMNA (0.56) ALDH1A1NPSR1PDE7AMAPTMEN1
SCHEMBL22469704 0.82 MRGPRX4 (0.72) TDP1ALDH1A1MAPTMEN1KMT2A

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 TDP1 4336/4885ALDH1A1 2723/4885HPGD 3704/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 TDP1 4336/4885ALDH1A1 2723/4885HPGD 3704/4885

“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.