SCHEMBL2968600

SCHEMBL2968600

CNC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.62
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
HPGD P15428 3/20 0.56
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 4/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.52
HTT P42858 2/20 0.51
TSHR P16473 1/20 0.51
MAPT P10636 1/20 0.51
HPSE Q9Y251 1/20 0.49
MAPK1 P28482 1/20 0.48

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
SCHEMBL2016083 0.86 ALDH1A1 (0.67) PDE7AKMT2AMEN1HPGDALDH1A1
SCHEMBL2960341 0.86 PDE7A (0.67) PDE7AKMT2AMEN1HPGDALDH1A1
SCHEMBL2960381 0.85 PDE7A (0.56) PDE7AKMT2AMEN1HPGDALDH1A1
SCHEMBL2016906 0.84 PDE7A (0.68) PDE7AKMT2AMEN1HPGDALDH1A1
SCHEMBL2023299 0.84 PDE7A (0.68) PDE7AKMT2AMEN1HPGDALDH1A1
SCHEMBL2021889 0.84 MAPT (0.56) PDE7AKMT2AMEN1HPGDALDH1A1
SCHEMBL11839569 0.83 PDE7A (0.60) PDE7AKMT2AMEN1HPGDALDH1A1
SCHEMBL29780387 0.82 PDE7A (0.82) PDE7AKMT2AMEN1HPGDALDH1A1
SCHEMBL5863266 0.82 PDE7A (0.82) PDE7AKMT2AMEN1HPGDALDH1A1
SCHEMBL2968268 0.80 MEN1 (0.67) PDE7AKMT2AMEN1ALDH1A1LMNA

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 5 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
US-20070232645-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US 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 4223/4885KMT2A 3566/4885MEN1 4571/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885KMT2A 3566/4885MEN1 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.