SCHEMBL3422307

SCHEMBL3422307

CN1CCN(CCCOC(=O)N2CCc3c(sc(NC(=O)c4ccccc4)c3C#N)C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.58
MEN1 O00255 9/20 0.58
KMT2A Q03164 9/20 0.58
MAPT P10636 7/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 2/20 0.58
TP53 P04637 1/20 0.58
TSHR P16473 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HSD17B10 Q99714 1/20 0.58
KDM4E B2RXH2 4/20 0.56
GAA P10253 3/20 0.54
TNNI3 P19429 1/20 0.54
TNNT2 P45379 1/20 0.54
TNNC1 P63316 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
HPGD P15428 3/20 0.52
RAB9A P51151 3/20 0.52

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
SCHEMBL3422299 0.91 L3MBTL1 (0.61) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3418539 0.90 ALDH1A1 (0.64) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3422759 0.89 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13337749 0.89 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3423007 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3424204 0.88 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3420588 0.88 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13337747 0.88 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3421903 0.87 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3420914 0.87 ALDH1A1 (0.62) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-7714134-B2 Compounds and use of tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 US disclosed
US-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES PEKARI KLAUS 2009-08-20 US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 US disclosed
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2007-11-08 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-20090209534-A1 NOVEL COMPOUNDS AND USE OF TETRAHYDROPYRIDOPYRIDOTHIOPHENES RB1, MCL1, CCAR2 ALDH1A1 935/4885MEN1 3560/4885KMT2A 2457/4885
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes RB1, BAX, BCL2 ALDH1A1 412/4885MEN1 3291/4885KMT2A 2718/4885

“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.