SCHEMBL3424192

SCHEMBL3424192

N#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)OCc1cccnc1)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.59
KMT2A Q03164 8/20 0.59
ALDH1A1 P00352 8/20 0.59
MAPT P10636 7/20 0.59
HPGD P15428 4/20 0.59
GAA P10253 3/20 0.59
HSD17B10 Q99714 2/20 0.59
ALOX15 P16050 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GRM1 Q13255 7/20 0.54
KDM4E B2RXH2 3/20 0.53
STAT3 P40763 2/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MAPK10 P53779 1/20 0.51
THRB P10828 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
SCHEMBL3423514 0.92 ALDH1A1 (0.70) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3417992 0.91 ALDH1A1 (0.62) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3421297 0.91 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3421127 0.89 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3432855 0.88 MEN1 (0.58) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3420751 0.87 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3420748 0.87 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3421481 0.87 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3919729 0.87 ALDH1A1 (0.65) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3423881 0.86 MAPT (0.56) MEN1KMT2AALDH1A1MAPTHPGD

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 7 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-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-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

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 MEN1 3560/4885KMT2A 2457/4885ALDH1A1 935/4885
US-20070259911-A1 Novel Compounds and Use of Tetrahydropyridothiophenes RB1, BAX, BCL2 MEN1 3291/4885KMT2A 2718/4885ALDH1A1 412/4885

“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.