SCHEMBL3419611

SCHEMBL3419611

N#Cc1c(NC(=O)CCC2CCCCC2)sc2c1CCN(C(=O)CO)C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.49
▸ KMT2A Q03164 6/20 0.49
▸ ALDH1A1 P00352 7/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ ESR2 Q92731 3/20 0.47
▸ POLB P06746 3/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ USP2 O75604 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL3421661 0.94 MAPK9 (0.49) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL4056323 0.90 MEN1 (0.53) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3419893 0.86 L3MBTL1 (0.64) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL2895790 0.86 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3418594 0.85 MEN1 (0.53) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3420744 0.85 MEN1 (0.49) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3423396 0.84 MEN1 (0.44) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3415429 0.83 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EMAPK9
SCHEMBL4508669 0.83 MAPK10 (0.48) MEN1KMT2AALDH1A1RAB9ASMN1; SMN2
SCHEMBL3422930 0.83 MEN1 (0.53) MEN1KMT2ALMNAMAPTMAPK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 — — US claimed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 — — US claimed
EP-1896484-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER Nycomed GmbH (DE) 2008-03-12 — — EP claimed
WO-2006125813-A2 TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER NYCOMED GMBH (DE) 2006-11-30 — — WO claimed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-7714136-B2 Tetrahydropyridothiophenes 4SC AG (DE) 2010-05-11 — — US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 — — US disclosed
US-20090258873-A1 Novel tetrahydropyridothiophenes PEKARI KLAUS 2009-10-15 — — US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 — — US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 — — US disclosed
US-20080206258-A1 Novel Tetrahydropyridothiophenes NYCOMED GMBH (DE) 2008-08-28 — — 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-20080206258-A1 Novel Tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4691/4885KMT2A 2644/4885ALDH1A1 615/4885
US-20090258873-A1 Novel tetrahydropyridothiophenes BAX, BCL2, CCAR2 MEN1 4735/4885KMT2A 2418/4885ALDH1A1 632/4885

“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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