SCHEMBL2968752

SCHEMBL2968752

O=Cc1cccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.74
MAPT P10636 5/20 0.74
MEN1 O00255 5/20 0.74
LMNA P02545 4/20 0.74
ALDH1A1 P00352 2/20 0.74
PDE7A Q13946 1/20 0.58
TTR P02766 2/20 0.47
TERT O14746 1/20 0.46
VCAM1 P19320 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
EPAS1 Q99814 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALB P02768 1/20 0.42
THRB P10828 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL3928064 0.90 MAPT (0.74) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL13220955 0.85 PDE7A (0.70) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL27705659 0.83 MAPT (0.73) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL30159245 0.83 MAPT (0.73) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL2020498 0.82 PDE7A (0.73) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL31090820 0.82 PDE7A (0.73) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL6157958 0.79 MAPT (0.67) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL6251002 0.78 TTR (0.62) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL29780387 0.78 PDE7A (0.82) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL5863266 0.78 PDE7A (0.82) KMT2AMAPTMEN1LMNAALDH1A1

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 3566/4885MAPT 1347/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MAPT 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.