SCHEMBL4068845

SCHEMBL4068845

COC(=O)c1ccccc1Sc1csc2ccc(C)cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.51
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
POLB P06746 2/20 0.46
HSD17B10 Q99714 1/20 0.46
KMT2A Q03164 1/20 0.46
NR4A2 P43354 2/20 0.42
PKLR P30613 1/20 0.42
HTT P42858 2/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL4058371 0.90 MAPT (0.49) MAPTALDH1A1NPSR1SMN1; SMN2CYP1A2
SCHEMBL4069370 0.86 MAPT (0.45) MAPTALDH1A1NPSR1SMN1; SMN2CYP1A2
SCHEMBL4066723 0.86 MAPT (0.45) MAPTALDH1A1POLBHSD17B10KMT2A
SCHEMBL4068766 0.85 HSD17B10 (0.51) MAPTALDH1A1NPSR1SMN1; SMN2CYP1A2
SCHEMBL4059097 0.85 HDAC3 (0.43) MAPTALDH1A1NPSR1SMN1; SMN2CYP1A2
SCHEMBL4059938 0.84 MAPT (0.44) MAPTALDH1A1NPSR1SMN1; SMN2CYP1A2
SCHEMBL4440485 0.78 HSD17B10 (0.64) MAPTALDH1A1SMN1; SMN2POLBHSD17B10
SCHEMBL9860403 0.76 ALDH1A1 (0.54) MAPTALDH1A1NPSR1SMN1; SMN2CYP1A2
SCHEMBL4064902 0.76 MAPT (0.50) MAPTALDH1A1NPSR1SMN1; SMN2CYP1A2
SCHEMBL4066727 0.74 ABL1 (0.45) ALDH1A1SMN1; SMN2CYP1A2CYP3A4CYP2C9

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 MAPT 3465/4885ALDH1A1 550/4885NPSR1 1427/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 MAPT 3465/4885ALDH1A1 550/4885NPSR1 1427/4885

“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.