SCHEMBL4066727

SCHEMBL4066727

COC(=O)c1ccc(Cl)cc1Sc1csc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.45
MAOB P27338 1/20 0.42
NR4A2 P43354 2/20 0.40
KDM4E B2RXH2 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR1A P08908 1/20 0.40
GAA P10253 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 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
SCHEMBL4618331 0.87 ALDH1A1 (0.43) MAOBHTR1AALDH1A1CYP3A4CYP2C9
SCHEMBL4065047 0.85 MAOB (0.45) MAOBKDM4ESLC6A4SLC6A3ALDH1A1
SCHEMBL4066723 0.85 MAPT (0.45) ABL1NR4A2SLC6A4SLC6A3ALDH1A1
SCHEMBL4059186 0.85 MAOB (0.43) MAOBKDM4EALDH1A1CYP3A4CYP2C9
SCHEMBL4068766 0.84 HSD17B10 (0.51) NR4A2KDM4EGAAALDH1A1CYP1A2
SCHEMBL4618325 0.81 ALDH1A1 (0.44) MAOBKDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL4059097 0.79 HDAC3 (0.43) MAOBNR4A2KDM4ESLC6A4SLC6A3
SCHEMBL4616482 0.78 SLC6A3 (0.41) ABL1MAOBKDM4ESLC6A4SLC6A3
SCHEMBL9323068 0.78 ABL1 (0.53) ABL1NR4A2KDM4ESLC6A4SLC6A3
SCHEMBL10901085 0.74 NR4A2 (0.52) ABL1NR4A2KDM4EALDH1A1SMN1; SMN2

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 ABL1 331/4885MAOB 14/4885NR4A2 485/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 ABL1 331/4885MAOB 14/4885NR4A2 485/4885

“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.