SCHEMBL4058374

SCHEMBL4058374

NC(=O)c1ccccc1Sc1csc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.54
CNR2 P34972 1/20 0.44
JUN P05412 1/20 0.44
MAPK8 P45983 1/20 0.44
MAPK9 P45984 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CYP2A6 P11509 3/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 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
SCHEMBL4064890 0.86 POLB (0.50) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL3077375 0.81 SIRT1 (0.77) SIRT1ALDH1A1MAPTHPGDKDM4E
SCHEMBL4616482 0.81 SLC6A3 (0.41) SIRT1JUNMAPK8MAPK9HDAC3
SCHEMBL4068766 0.81 HSD17B10 (0.51) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1801896 0.79 CYP2A6 (0.50) CNR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2184154 0.78 HDAC3 (0.62) CNR2JUNMAPK8MAPK9HDAC3
SCHEMBL29800086 0.78 HDAC3 (0.62) CNR2JUNMAPK8MAPK9HDAC3
SCHEMBL6629741 0.76 SIRT1 (0.65) SIRT1ALDH1A1MAPTHPGDKDM4E
Hydrochloric Acid SCHEMBL7301129 0.76 HDAC3 (0.61) CNR2JUNMAPK8MAPK9HDAC3
SCHEMBL27788833 0.76 HDAC3 (0.61) CNR2JUNMAPK8MAPK9HDAC3

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 SIRT1 2437/4885CNR2 2277/4885JUN 787/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 SIRT1 2437/4885CNR2 2277/4885JUN 787/4885

“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.