SCHEMBL2016906

SCHEMBL2016906

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

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.68
KMT2A Q03164 3/20 0.61
MEN1 O00255 1/20 0.61
HPSE Q9Y251 1/20 0.56
LMNA P02545 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
SRD5A2 P31213 1/20 0.50
TTR P02766 1/20 0.50
CCR1 P32246 1/20 0.50
CCR2 P41597 1/20 0.50
CCR5 P51681 1/20 0.50
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL6900584 0.92 KMT2A (0.68) PDE7AKMT2AMEN1HPSELMNA
SCHEMBL2023299 0.89 PDE7A (0.68) PDE7AKMT2AMEN1HPSELMNA
SCHEMBL2960341 0.88 PDE7A (0.67) PDE7AKMT2AMEN1HPSELMNA
SCHEMBL29780387 0.87 PDE7A (0.82) PDE7AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL5863266 0.87 PDE7A (0.82) PDE7AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL2016083 0.85 ALDH1A1 (0.67) PDE7AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL2966318 0.85 MRGPRX4 (0.67) PDE7AKMT2AMEN1HPSELMNA
SCHEMBL2968600 0.84 PDE7A (0.62) PDE7AKMT2AMEN1HPSELMNA
SCHEMBL810516 0.84 PDE7A (0.74) PDE7AKMT2AMEN1LMNASMN1; SMN2
SCHEMBL2020498 0.84 PDE7A (0.73) PDE7AKMT2AMEN1HPSELMNA

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 12 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-8236950-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2012-08-07 US disclosed
US-20110160233-A1 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-30 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-2094276-A2 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2009-09-02 EP disclosed
CN-101384592-A Antiviral compounds ABBOTT LAB (US) 2009-03-11 CN disclosed
WO-2008133753-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2008-11-06 WO 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 (3 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-20110160233-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 PDE7A 4223/4885KMT2A 3566/4885MEN1 4571/4885
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.