SCHEMBL4067004

SCHEMBL4067004

CN(CCCCc1ccccc1Sc1csc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
METAP2 P50579 1/20 0.33
GLS O94925 1/20 0.33
PDK2 Q15119 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ADORA3 P0DMS8 1/20 0.32
PAX8 Q06710 1/20 0.32
LMNA P02545 3/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALDH1A1 P00352 3/20 0.31
NPY2R P49146 2/20 0.31
MAPK1 P28482 2/20 0.31
NPY1R P25929 1/20 0.31
HTR2C P28335 1/20 0.31

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
SCHEMBL4063459 0.97 GBA1 (0.39) GBA1CTSLCTSSCTSKMETAP2
SCHEMBL4067256 0.93 GBA1 (0.41) GBA1CTSLCTSSCTSKPDK2
SCHEMBL4071441 0.81 GBA1 (0.35) GBA1METAP2GLSPDK2L3MBTL1
SCHEMBL4397673 0.81 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HTR2CSLC6A4
SCHEMBL4391721 0.80 KDM4E (0.41) GBA1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL4067254 0.78 GBA1 (0.35) GBA1METAP2PDK2SMN1; SMN2ADORA3
SCHEMBL4391454 0.78 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HTR2CSLC6A4
SCHEMBL4385897 0.77 KDM4E (0.41) GBA1SMN1; SMN2LMNAALDH1A1MAPT
SCHEMBL4067425 0.74 GBA1 (0.37) GBA1METAP2GLSPDK2L3MBTL1
SCHEMBL4396116 0.73 SLC6A4 (0.43) SMN1; SMN2HTR2CSLC6A4

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
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives H. LUNDBECK A/S (DK) 2009-07-30 US disclosed
US-7534791-B2 Benzo[b]furane and benzo[b]thiophene derivatives H. LUNDBECK A/S (DK) 2009-05-19 US disclosed
EP-1893596-A2 BENZOÝB¨FURANE AND BENZOÝB¨THIOPHENE DERIVATIVES H.Lundbeck A/S (DK) 2008-03-05 EP disclosed
WO-2007023395-A2 BENZO[B]FURANE AND BENZO[B]THIOPHENE DERIVATIVES H. LUNDBECK A/S (US) 2007-03-01 WO disclosed
US-20060287386-A1 Benzo[b]furane and benzo[b]thiophene derivatives H. LUNDBECK A/S (DK) 2006-12-21 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-20060287386-A1 Benzo[b]furane and benzo[b]thiophene derivatives CYP1B1, TBCB, CYP4B1 GBA1 2257/4885CTSL 4357/4885CTSS 4061/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 GBA1 2257/4885CTSL 4357/4885CTSS 4061/4885

“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.