SCHEMBL4605344

SCHEMBL4605344

COc1ccc(C(=O)c2sc3ccccc3c2OCC(=O)C(C)(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.59
CNR2 P34972 5/20 0.53
CNR1 P21554 2/20 0.51
SENP5 Q96HI0 1/20 0.46
SENP2 Q9HC62 1/20 0.46
SENP1 Q9P0U3 1/20 0.46
CXCR2 P25025 1/20 0.45
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL4605385 0.91 CXCR2 (0.48) MAOBCNR2SENP5SENP2SENP1
SCHEMBL4606976 0.89 MAOB (0.44) MAOBCNR2CNR1SENP5SENP2
SCHEMBL4605051 0.89 GABRA1 (0.54) MAOBCNR2SENP5SENP2SENP1
SCHEMBL4604741 0.85 MAOB (0.60) MAOBCNR2CNR1SENP5SENP2
SCHEMBL4603763 0.85 MAOB (0.44) MAOBCNR2CNR1ESR1KMT2A
SCHEMBL4606183 0.82 CXCR2 (0.48) SENP5SENP2SENP1CXCR2KMT2A
SCHEMBL4634437 0.82 PTPN2 (0.56) SENP5SENP2SENP1CXCR2KMT2A
SCHEMBL4604069 0.80 MAOB (0.54) MAOBCNR2CNR1SENP5SENP2
SCHEMBL4605095 0.78 SENP5 (0.38) MAOBSENP5SENP2SENP1CXCR2
SCHEMBL4632974 0.78 ALDH1A1 (0.61) CXCR2KMT2AMEN1TDP1SMN1; 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 3 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

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 2409/4885CNR2 1525/4885CNR1 732/4885

“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.