SCHEMBL2955922

SCHEMBL2955922

COc1cc(C)nc(CCC(=O)N2CCc3c(sc(NC(=O)CCc4cc(OC)ccc4OC)c3C#N)C2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 2/20 0.44
GRM5 P41594 3/20 0.44
STAT3 P40763 1/20 0.44
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
P2RX3 P56373 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
GRM1 Q13255 1/20 0.42
PLA2G1B P04054 1/20 0.41
HPGD P15428 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41

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
SCHEMBL2961358 0.95 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2963198 0.90 MEN1 (0.49) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2970492 0.88 MEN1 (0.48) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2955030 0.88 ALDH1A1 (0.53) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2955287 0.87 MEN1 (0.55) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2963003 0.87 KMT2A (0.50) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2964118 0.87 MEN1 (0.49) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4771601 0.87 MEN1 (0.49) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL2969066 0.86 MEN1 (0.53) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL3351195 0.85 MAPT (0.59) KMT2AMEN1MAPTALDH1A1KDM4E

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 20 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-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US 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-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 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 KMT2A 2418/4885MEN1 4735/4885MAPT 1166/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 KMT2A 2644/4885MEN1 4691/4885MAPT 1276/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MEN1 4571/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 KMT2A 3566/4885MEN1 4571/4885MAPT 1347/4885

“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.