SCHEMBL4067254

SCHEMBL4067254

CN(CCCc1ccccc1Sc1coc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.35
MAPT P10636 2/20 0.33
METAP2 P50579 1/20 0.33
BRD4 O60885 2/20 0.32
PDK2 Q15119 1/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MAOB P27338 4/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 2/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
RAD52 P43351 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL4071441 0.97 GBA1 (0.35) GBA1MAPTMETAP2BRD4PDK2
SCHEMBL4063256 0.94 GBA1 (0.36) GBA1MAPTPDK2MAOBALDH1A1
SCHEMBL4060241 0.87 LMNA (0.38) MAPTGAAMAOBALDH1A1LMNA
SCHEMBL4063459 0.80 GBA1 (0.39) GBA1MAPTMETAP2PDK2GAA
SCHEMBL4391454 0.80 SMN1; SMN2 (0.45) CYP1A2ALDH1A1HTR2CSLC6A4SMN1; SMN2
SCHEMBL4234670 0.79 NQO2 (0.47) MAPTGAAHPGDTSHRLMNA
SCHEMBL4385897 0.79 KDM4E (0.41) GBA1MAPTBRD4HPGDALDH1A1
SCHEMBL4067004 0.78 GBA1 (0.39) GBA1MAPTMETAP2PDK2ADORA3
SCHEMBL4397673 0.77 SMN1; SMN2 (0.44) CYP1A2ALDH1A1HTR2CSLC6A4SMN1; SMN2
SCHEMBL4391721 0.76 KDM4E (0.41) GBA1MAPTBRD4HPGDALDH1A1

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 2257/4885MAPT 3465/4885METAP2 4260/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 GBA1 2257/4885MAPT 3465/4885METAP2 4260/4885

“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.