SCHEMBL4603763

SCHEMBL4603763

COc1ccc(C(=O)c2sc3ccc(F)cc3c2OCC(=O)C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
CNR2 P34972 5/20 0.40
CNR1 P21554 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SCD O00767 1/20 0.39
ESR1 P03372 1/20 0.39
PMM2 O15305 1/20 0.38
MIF P14174 1/20 0.38
MPI P34949 1/20 0.38
PHOSPHO1 Q8TCT1 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL4605894 0.94 ESR1 (0.40) MAOBALDH1A1LMNANPC1RAB9A
SCHEMBL4605095 0.89 SENP5 (0.38) MAOBALDH1A1LMNAMEN1KMT2A
SCHEMBL4605344 0.85 MAOB (0.59) MAOBALDH1A1LMNACNR2CNR1
SCHEMBL4606976 0.83 MAOB (0.44) MAOBALDH1A1LMNACNR2CNR1
SCHEMBL4605385 0.75 CXCR2 (0.48) MAOBALDH1A1LMNACNR2KMT2A
SCHEMBL4605051 0.74 GABRA1 (0.54) MAOBALDH1A1LMNACNR2NPC1
SCHEMBL4604741 0.70 MAOB (0.60) MAOBALDH1A1LMNACNR2CNR1
SCHEMBL31053341 0.69 BCKDK (0.60) MAOBALDH1A1LMNANPC1RAB9A
SCHEMBL4604994 0.69 PTPN1 (0.53) MAOBALDH1A1LMNACNR2NPC1
SCHEMBL12622681 0.68 LMNA (0.53) ALDH1A1LMNANPC1RAB9ASMN1; 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 5 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 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
EP-1685122-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005054226-A1 BENZOFURANS AND BENZOTHIOPHENES MERCK PATENT GMBH (DE) 2005-06-16 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-20070066680-A1 Benzofurans and benzothiophenes INSR, GPR119, IGF1R MAOB 2409/4885ALDH1A1 1032/4885LMNA 2810/4885

“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.