SCHEMBL13676727

SCHEMBL13676727

Cn1cncc1CCC(=O)N1CCc2c(sc(NC(=O)CCC3CCCCC3)c2C#N)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 2/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ POLB P06746 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ STAT3 P40763 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL3420764 0.85 MAPK10 (0.45) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3420744 0.85 MEN1 (0.49) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3415346 0.84 MEN1 (0.50) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL4508669 0.83 MAPK10 (0.48) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3421661 0.83 MAPK9 (0.49) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3419611 0.82 MEN1 (0.49) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3423426 0.81 MAPK10 (0.49) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3423396 0.81 MEN1 (0.44) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL3418594 0.81 MEN1 (0.53) MAPK10MAPK9MEN1KMT2AL3MBTL1
SCHEMBL4056323 0.80 MEN1 (0.53) MEN1KMT2AL3MBTL1NPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 — — US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 — — 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 (1 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-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 MAPK10 1331/4885MAPK9 2360/4885MEN1 4735/4885

“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.

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