SCHEMBL2895838

SCHEMBL2895838

CCOc1ccccc1CCC(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 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
SCHEMBL2896328 0.91 ALDH1A1 (0.51) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL2961985 0.89 ALDH1A1 (0.52) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL3423237 0.89 ALDH1A1 (0.54) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL2968735 0.89 ALDH1A1 (0.47) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL2970421 0.89 NPC1 (0.47) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL2969493 0.88 ALDH1A1 (0.48) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL2969424 0.87 MAPT (0.48) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL2970174 0.87 ALDH1A1 (0.43) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL2968652 0.87 ALDH1A1 (0.43) ALDH1A1MAPTLMNATP53ALOX15
SCHEMBL3419042 0.86 ALDH1A1 (0.51) ALDH1A1MAPTLMNATP53ALOX15

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 US disclosed
US-7763728-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-07-27 US disclosed
US-7741488-B2 Tetrahydropyridothiophenes as antiproliferative agents for the treatment of cancer 4SC AG (DE) 2010-06-22 US disclosed
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES PEKARI KLAUS 2009-10-15 US disclosed
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer PEKARI KLAUS 2009-10-08 US disclosed
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer ALTANA PHARMA AG (DE) 2009-04-16 US disclosed
US-20080260749-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-10-23 US disclosed
EP-1893618-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-05 EP disclosed
EP-1851230-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER Nycomed GmbH (DE) 2007-11-07 EP disclosed
WO-2006125815-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 WO disclosed
WO-2006084904-A1 TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-08-17 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 (5 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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 ALDH1A1 566/4885MAPT 1389/4885LMNA 3689/4885
US-20090257977-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, BCL2, CCAR2 ALDH1A1 632/4885MAPT 1166/4885LMNA 4066/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 ALDH1A1 1497/4885MAPT 3736/4885LMNA 4526/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 ALDH1A1 615/4885MAPT 1276/4885LMNA 3874/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX ALDH1A1 576/4885MAPT 2223/4885LMNA 4080/4885

“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.