SCHEMBL2964541

SCHEMBL2964541

Cc1ccc(Sc2ccc(NC(=O)COc3ccccc3C)cc2)c(Nc2ccnc3nc(C)ccc23)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.47
CEPT1 Q9Y6K0 2/20 0.47
MAPT P10636 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HTT P42858 1/20 0.46
NOTUM Q6P988 8/20 0.45
LMNA P02545 3/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
USP2 O75604 1/20 0.44
ADRB2 P07550 1/20 0.44
TSHR P16473 1/20 0.44
PTK2B Q14289 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2968955 0.89 MAPT (0.45) CETPMAPTHTTLMNAPOLB
SCHEMBL2970540 0.85 KDM4E (0.47) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL2970598 0.85 SMN1; SMN2 (0.43) MAPTLMNAPOLBALDH1A1HPGD
SCHEMBL2023477 0.83 AURKA (0.41) MAPTPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL2961608 0.83 RAB9A (0.46) MAPTPOLBALDH1A1HPGDSMN1; SMN2
SCHEMBL2968604 0.82 SMN1; SMN2 (0.38) MAPTHTTLMNAALDH1A1HPGD
SCHEMBL2970840 0.81 SMN1; SMN2 (0.37) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL2959822 0.80 ALDH1A1 (0.39) MAPTHTTLMNAALDH1A1SMN1; SMN2
SCHEMBL2022548 0.80 ALDH1A1 (0.48) HTTLMNAPOLBALDH1A1HPGD
SCHEMBL2957091 0.79 PIM1 (0.43) MAPTRXFP1HTTLMNAPOLB

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 17 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-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 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
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 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
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 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 CETP 4721/4885CEPT1 910/4885MAPT 1166/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 CETP 4675/4885CEPT1 913/4885MAPT 1276/4885
US-20070232645-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 CETP 566/4885CEPT1 2624/4885MAPT 1347/4885
US-20100256139-A1 Anti-Viral Compounds HAVCR2, MAVS, EIF2AK2 CETP 566/4885CEPT1 2624/4885MAPT 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.