SCHEMBL4063459

SCHEMBL4063459

CN(CCCc1ccccc1Sc1csc2ccccc12)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
PAX8 Q06710 1/20 0.34
METAP2 P50579 1/20 0.33
PDK2 Q15119 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MAPK1 P28482 3/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2A6 P11509 1/20 0.32
MC4R P32245 1/20 0.32
MC5R P33032 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32

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
SCHEMBL4067004 0.97 GBA1 (0.39) GBA1CTSLCTSSCTSKPAX8
SCHEMBL4067256 0.94 GBA1 (0.41) GBA1CTSLCTSSCTSKPAX8
SCHEMBL4391454 0.80 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1HTR2CSLC6A4
SCHEMBL4067254 0.80 GBA1 (0.35) GBA1METAP2PDK2SMN1; SMN2MAPK1
SCHEMBL4385897 0.80 KDM4E (0.41) GBA1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL4071441 0.78 GBA1 (0.35) GBA1METAP2PDK2SMN1; SMN2MAPK1
SCHEMBL4397673 0.78 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1HTR2CSLC6A4
SCHEMBL4391721 0.77 KDM4E (0.41) GBA1SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL4394022 0.75 NPC1 (0.38) SMN1; SMN2SLC6A4IDO1
SCHEMBL4389267 0.75 CDK4 (0.39) SMN1; SMN2MAPTLMNASLC6A4IDO1

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
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
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.