SCHEMBL3418587

SCHEMBL3418587

N#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)OCCc1ccccn1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.56
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
MAPT P10636 9/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
HSD17B10 Q99714 3/20 0.56
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 1/20 0.56
STAT3 P40763 2/20 0.55
KDM4E B2RXH2 5/20 0.53
HPGD P15428 5/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
MAPK10 P53779 1/20 0.51
GRM1 Q13255 2/20 0.50
THRB P10828 1/20 0.50
GAA P10253 4/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL3423055 0.95 ALDH1A1 (0.54) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3421217 0.92 ALDH1A1 (0.57) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3419906 0.89 MEN1 (0.52) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3423778 0.88 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3423309 0.88 MEN1 (0.55) ALDH1A1MEN1KMT2AMAPTHSD17B10
SCHEMBL3419645 0.88 ALDH1A1 (0.56) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL13337747 0.87 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3423300 0.87 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3423295 0.87 MEN1 (0.51) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3348384 0.87 MEN1 (0.49) 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.