SCHEMBL2961589

SCHEMBL2961589

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.52
MAPT P10636 5/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MRGPRX4 Q96LA9 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 4/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PAX8 Q06710 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
CHEK2 O96017 1/20 0.45
HPSE Q9Y251 1/20 0.44
GFER P55789 1/20 0.44
ERN1 O75460 1/20 0.43

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 0.87 KMT2A (0.56) PDE7AMAPTMEN1KMT2AMRGPRX4
SCHEMBL2962096 0.86 L3MBTL1 (0.48) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2966318 0.85 MRGPRX4 (0.67) PDE7AMAPTMEN1KMT2AMRGPRX4
SCHEMBL2959834 0.85 PDE7A (0.56) PDE7AMAPTMEN1KMT2AMRGPRX4
SCHEMBL2960770 0.85 TDP1 (0.58) PDE7AMAPTMEN1KMT2AMRGPRX4
SCHEMBL2971646 0.84 LMNA (0.63) PDE7AMAPTMEN1KMT2AMRGPRX4
SCHEMBL2970392 0.82 KMT2A (0.50) PDE7AMAPTMEN1KMT2AMRGPRX4
SCHEMBL16792524 0.81 KDM4E (0.48) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL2964389 0.81 L3MBTL1 (0.59) MAPTMEN1KMT2AMRGPRX4SMN1; SMN2
SCHEMBL30957318 0.80 MEN1 (0.45) MAPTMEN1KMT2ASMN1; SMN2LMNA

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.