SCHEMBL3993933

SCHEMBL3993933

CCCC(=O)N1CCc2c(sc(NC(=O)c3cccnc3)c2C#N)C1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.64
LMNA P02545 5/20 0.64
GAA P10253 4/20 0.64
ALDH1A1 P00352 8/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
MAPK10 P53779 2/20 0.54
STAT3 P40763 5/20 0.54
MAPK9 P45984 1/20 0.54
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
HSD17B10 Q99714 2/20 0.51
HPGD P15428 2/20 0.51
RXFP1 Q9HBX9 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50

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
SCHEMBL4605262 0.90 MAPT (0.51) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL14217569 0.90 MAPT (0.61) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL13337731 0.89 ALDH1A1 (0.61) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3920972 0.88 MEN1 (0.70) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3919729 0.88 ALDH1A1 (0.65) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL4507527 0.87 MAPT (0.62) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3931598 0.87 MAPT (0.69) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3931603 0.86 MAPT (0.68) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3423881 0.86 MAPT (0.56) MAPTLMNAGAAALDH1A1MEN1
SCHEMBL3993937 0.84 GRM1 (0.62) MEN1KMT2AMAPK10MAPK9GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 US disclosed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 US disclosed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 US disclosed
US-7517986-B2 Tetrahydropyridothiophenes for use in the treatment of cancer 4SC AG (DE) 2009-04-14 US disclosed
EP-1756118-B1 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2008-05-28 EP disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US disclosed
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer NYCOMED GMBH (DE) 2007-09-13 US 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 (2 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-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer BCL2, BAX, MCL1 MAPT 1411/4885LMNA 3962/4885GAA 3779/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 MAPT 1402/4885LMNA 3882/4885GAA 3762/4885

“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.