SCHEMBL2895790

SCHEMBL2895790

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MEN1 O00255 7/20 0.49
▸ KMT2A Q03164 7/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ POLB P06746 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ KDM4E B2RXH2 3/20 0.47
▸ ESR2 Q92731 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ATM Q13315 1/20 0.46

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
SCHEMBL4056323 0.88 MEN1 (0.53) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3419893 0.88 L3MBTL1 (0.64) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3419611 0.86 MEN1 (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL3421661 0.85 MAPK9 (0.49) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2895632 0.85 MEN1 (0.48) SMN1; SMN2MEN1KMT2AALDH1A1POLB
SCHEMBL2893475 0.84 MEN1 (0.47) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2893613 0.84 MEN1 (0.53) MEN1KMT2AL3MBTL1
SCHEMBL2887976 0.83 MEN1 (0.49) MEN1KMT2AL3MBTL1LMNAMAPT
SCHEMBL2887735 0.82 STAT3 (0.47) MEN1KMT2AL3MBTL1
SCHEMBL2893432 0.81 MEN1 (0.48) MEN1KMT2AL3MBTL1LMNAMAPT

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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 — — US claimed
EP-2051983-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2009-04-29 — — EP claimed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 — — WO claimed
US-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES 4SC AG (DE) 2010-11-11 — — US disclosed
EP-2051983-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2009-04-29 — — EP disclosed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 — — WO 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-20100285149-A1 NOVEL TETRAHYDROPYRIDOTHIOPHENES BAX, CCAR2, BCL2 SMN1; SMN2 3195/4885RAB9A 1416/4885NPC1 4582/4885

“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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