SCHEMBL2969780

SCHEMBL2969780

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
GFER P55789 1/20 0.56
PDE7A Q13946 1/20 0.55
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 4/20 0.54
POLB P06746 2/20 0.54
MRGPRX4 Q96LA9 1/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 1/20 0.50
PAX8 Q06710 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAOA P21397 3/20 0.48
MAOB P27338 3/20 0.48
CHEK2 O96017 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
SCHEMBL2966318 0.89 MRGPRX4 (0.67) KMT2AMEN1PDE7AMAPTSMN1; SMN2
SCHEMBL2959834 0.89 PDE7A (0.56) KMT2AMEN1GFERPDE7AMAPT
SCHEMBL2960770 0.88 TDP1 (0.58) KMT2AMEN1GFERPDE7AMAPT
SCHEMBL2971646 0.88 LMNA (0.63) KMT2AMEN1PDE7AMAPTSMN1; SMN2
SCHEMBL2961589 0.87 PDE7A (0.52) KMT2AMEN1GFERPDE7AMAPT
SCHEMBL2960341 0.86 PDE7A (0.67) KMT2AMEN1PDE7AMAPTSMN1; SMN2
SCHEMBL2970392 0.85 KMT2A (0.50) KMT2AMEN1PDE7AMAPTSMN1; SMN2
SCHEMBL9656929 0.82 KMT2A (0.52) KMT2AMEN1GFERMAPTSMN1; SMN2
SCHEMBL2957636 0.82 LMNA (0.56) KMT2AMEN1PDE7AMAPTSMN1; SMN2
SCHEMBL15489473 0.81 MRGPRX4 (0.76) KMT2AMEN1MAPTSMN1; 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 KMT2A 3566/4885MEN1 4571/4885GFER 3717/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MEN1 4571/4885GFER 3717/4885

“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.