SCHEMBL3421297

SCHEMBL3421297

N#Cc1c(NC(=O)c2ccccc2)sc2c1CCN(C(=O)OCCCc1cccnc1)C2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 7/20 0.53
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
GAA P10253 2/20 0.52
GRM1 Q13255 7/20 0.51
KDM4E B2RXH2 3/20 0.50
HPGD P15428 3/20 0.50
ALOX15 P16050 1/20 0.50
STAT3 P40763 2/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
MAPK10 P53779 2/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL3415924 0.92 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3424192 0.91 MEN1 (0.59) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL13166239 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3356552 0.88 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3423778 0.87 ALDH1A1 (0.60) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3423881 0.87 MAPT (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3419645 0.87 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3423055 0.86 ALDH1A1 (0.54) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL3423261 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTHSD17B10
SCHEMBL3353316 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1MAPTSMN1; 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 6 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

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.