SCHEMBL3920972

SCHEMBL3920972

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.70
KMT2A Q03164 9/20 0.70
MAPT P10636 8/20 0.70
ALDH1A1 P00352 8/20 0.70
LMNA P02545 4/20 0.69
GAA P10253 2/20 0.69
KDM4E B2RXH2 3/20 0.68
SMN1; SMN2 Q16637 5/20 0.64
HPGD P15428 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
HSD17B10 Q99714 2/20 0.64
RXFP1 Q9HBX9 1/20 0.64
RAB9A P51151 3/20 0.58
POLB P06746 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
NPC1 O15118 2/20 0.58
MITF O75030 1/20 0.58
CASP6 P55212 1/20 0.58
PAX8 Q06710 1/20 0.58
STAT3 P40763 5/20 0.57

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
SCHEMBL3931598 0.91 MAPT (0.69) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3931603 0.90 MAPT (0.68) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3993933 0.88 MAPT (0.64) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3919729 0.88 ALDH1A1 (0.65) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3418041 0.88 ALDH1A1 (0.78) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4507527 0.88 MAPT (0.62) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3921486 0.88 MAPT (0.62) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL14217569 0.85 MAPT (0.61) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4220915 0.84 MAPT (0.58) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3432855 0.82 MEN1 (0.58) MEN1KMT2AMAPTALDH1A1LMNA

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-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 US disclosed
US-20090163538-A1 Tetrahydropyridothiophenes For Use In The Treatment Of Cancer PEKARI KLAUS 2009-06-25 US disclosed
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 MEN1 4263/4885KMT2A 1863/4885MAPT 1411/4885
US-20070213360-A1 Tetrahydropyridothiophenes for Use in the Treatment of Cancer BCL2, BAX, MCL1 MEN1 4017/4885KMT2A 1993/4885MAPT 1402/4885

“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.