SCHEMBL2969424

SCHEMBL2969424

CCOc1c(C)cccc1CCC(=O)Nc1sc2c(c1C#N)CCNC2

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 6/20 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 4/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
USP2 O75604 1/20 0.45
MAPK1 P28482 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 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
SCHEMBL2969255 0.92 ALDH1A1 (0.51) MAPTALDH1A1LMNATP53ALOX15
SCHEMBL2961985 0.90 ALDH1A1 (0.52) MAPTALDH1A1LMNATP53ALOX15
SCHEMBL3419183 0.88 ALDH1A1 (0.49) MAPTALDH1A1LMNATP53ALOX15
SCHEMBL3419042 0.88 ALDH1A1 (0.51) MAPTALDH1A1LMNATP53ALOX15
SCHEMBL2895838 0.87 ALDH1A1 (0.47) MAPTALDH1A1LMNATP53ALOX15
SCHEMBL2968735 0.87 ALDH1A1 (0.47) MAPTALDH1A1LMNATP53ALOX15
SCHEMBL3419028 0.86 ALDH1A1 (0.48) MAPTALDH1A1LMNATP53ALOX15
SCHEMBL3423237 0.85 ALDH1A1 (0.54) MAPTALDH1A1LMNATP53ALOX15
SCHEMBL2957081 0.85 ALDH1A1 (0.59) MAPTALDH1A1LMNATP53ALOX15
SCHEMBL2966465 0.84 MAPT (0.47) MAPTALDH1A1POLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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 MAPT 1166/4885ALDH1A1 632/4885LMNA 4066/4885
US-20090252706-A1 Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer RAB1A, RAB7A, RAB35 MAPT 3736/4885ALDH1A1 1497/4885LMNA 4526/4885
US-20080260749-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MAPT 1276/4885ALDH1A1 615/4885LMNA 3874/4885
US-20090098133-A1 Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer MKI67, BCL2, BAX MAPT 2223/4885ALDH1A1 576/4885LMNA 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.