SCHEMBL4604336

SCHEMBL4604336

COc1ccc(C(=O)COc2c(C(=O)c3ccc(C#N)cc3)sc3ccccc23)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 6/20 0.47
MAOB P27338 1/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
USP2 O75604 2/20 0.42
CNR2 P34972 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
CNR1 P21554 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
POLB P06746 2/20 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
SCHEMBL4605366 0.91 L3MBTL1 (0.53) L3MBTL1MAOBNPC1RAB9ACNR2
SCHEMBL4603711 0.90 L3MBTL1 (0.49) L3MBTL1MAOBNPC1RAB9ACASP3
SCHEMBL4604069 0.88 MAOB (0.54) MAOBNPC1RAB9ACNR2SMN1; SMN2
SCHEMBL4604300 0.87 RAB9A (0.49) L3MBTL1MAOBNPC1RAB9ACNR2
SCHEMBL4602743 0.86 ALOX5 (0.46) MAOBNPC1RAB9AUSP2CNR2
SCHEMBL4635048 0.83 L3MBTL1 (0.52) L3MBTL1NPC1RAB9ACASP3SENP8
SCHEMBL4605994 0.82 PTPN2 (0.43) MAOBNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL4604727 0.81 SENP5 (0.44) MAOBNPC1RAB9ACNR2SMN1; SMN2
SCHEMBL4604648 0.81 SENP2 (0.42) L3MBTL1
SCHEMBL4604182 0.81 SENP5 (0.51) NPC1RAB9AUSP2SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP claimed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US claimed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 US claimed
EP-1685122-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GmbH (DE) 2006-08-02 EP claimed
WO-2005054226-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2005-06-16 WO claimed
EP-1685122-B1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2008-07-09 EP disclosed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-7371774-B2 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2008-05-13 US disclosed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 US disclosed
US-20070066680-A1 Benzofurans and benzothiophenes MERCK PATENT GMBH (DE) 2007-03-22 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-20070066680-A1 Benzofurans and benzothiophenes INSR, GPR119, IGF1R L3MBTL1 655/4885MAOB 2409/4885NPC1 2244/4885

“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.