SCHEMBL4064764

SCHEMBL4064764

COC(=O)c1ccccc1Sc1c(C)oc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKLR P30613 1/20 0.43
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
HPGD P15428 1/20 0.41
ATM Q13315 1/20 0.40
TSHR P16473 2/20 0.40

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
SCHEMBL4440485 0.76 HSD17B10 (0.64) MAPTALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL4063645 0.74 MAPT (0.51) MAPTALDH1A1SMN1; SMN2CYP2C19CYP1A2
SCHEMBL18018241 0.72 CYP2C19 (0.61) ALDH1A1SMN1; SMN2CYP2C19CYP2C9KDM4E
SCHEMBL19760841 0.71 KDM4E (0.54) ALDH1A1SMN1; SMN2HSD17B10KDM4EPOLB
SCHEMBL5887723 0.70 SIRT1 (0.61) MAPTALDH1A1HSD17B10KDM4EPOLB
SCHEMBL14176672 0.70 MAPT (0.56) MAPTALDH1A1SMN1; SMN2CYP2C19CYP1A2
SCHEMBL516174 0.70 KDM4E (0.53) ALDH1A1SMN1; SMN2HSD17B10KDM4EPOLB
SCHEMBL30096217 0.69 POLB (0.64) MAPTALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL756511 0.69 POLB (0.64) MAPTALDH1A1SMN1; SMN2HSD17B10KDM4E
SCHEMBL1772596 0.69 CYP2C9 (0.64) MAPTALDH1A1SMN1; SMN2CYP2C19CYP3A4

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 550/4885SMN1; SMN2 3237/4885
US-20090192213-A1 Benzo[b]furane And Benzo[b]thiophene Derivatives CYP1B1, TBCB, CYP4B1 MAPT 3465/4885ALDH1A1 550/4885SMN1; SMN2 3237/4885

“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.