SCHEMBL2957844

SCHEMBL2957844

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

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.58
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.54
SMN1; SMN2 Q16637 6/20 0.51
LMNA P02545 5/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 5/20 0.50
HPGD P15428 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 3/20 0.48
MAPK1 P28482 2/20 0.47
HTT P42858 2/20 0.47
PAX8 Q06710 1/20 0.44
HPSE Q9Y251 1/20 0.44

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
SCHEMBL2965569 0.85 PDE7A (0.57) PDE7AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2960330 0.84 ALDH1A1 (0.69) PDE7AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2016083 0.83 ALDH1A1 (0.67) PDE7AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2960341 0.83 PDE7A (0.67) PDE7AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2016906 0.81 PDE7A (0.68) PDE7AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2023299 0.81 PDE7A (0.68) PDE7AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2961914 0.81 ALDH1A1 (0.56) PDE7AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2961786 0.80 PDE7A (0.74) PDE7AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL2968600 0.80 PDE7A (0.62) PDE7AKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL29780387 0.79 PDE7A (0.82) PDE7AKMT2AMEN1SMN1; 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US claimed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US claimed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US claimed
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 EP claimed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO claimed
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-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 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 (4 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 PDE7A 3826/4885KMT2A 2418/4885MEN1 4735/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 PDE7A 3960/4885KMT2A 2644/4885MEN1 4691/4885
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.