SCHEMBL4067256

SCHEMBL4067256

CN(CCc1ccccc1Sc1csc2ccccc12)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.41
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.34
PDK2 Q15119 1/20 0.34
PAX8 Q06710 1/20 0.33
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
HTR6 P50406 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
MAPT P10636 1/20 0.32
RAD52 P43351 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
SCHEMBL4063459 0.94 GBA1 (0.39) GBA1CTSLCTSSCTSKSMN1; SMN2
SCHEMBL4067004 0.93 GBA1 (0.39) GBA1CTSLCTSSCTSKSMN1; SMN2
SCHEMBL4063256 0.80 GBA1 (0.36) GBA1SMN1; SMN2PDK2ALDH1A1LMNA
SCHEMBL4387834 0.80 CDK4 (0.47) CDK4CCND1
SCHEMBL4388066 0.79 KDM4E (0.43) GBA1ALDH1A1HTR6MAPT
SCHEMBL4961169 0.76 MAPT (0.43) GBA1SMN1; SMN2ALDH1A1MAPK1CDK4
SCHEMBL4397676 0.76 SLC6A4 (0.41) CDK4CCND1SLC6A4
SCHEMBL4395382 0.76 MPO (0.39) CDK4CCND1SLC6A4
SCHEMBL4388970 0.75 HTR6 (0.47) ALDH1A1CDK4CCND1HTR6
SCHEMBL7651312 0.74 HTR1A (0.47) GBA1PDK2CDK4CCND1HTR6

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.