SCHEMBL13638175

SCHEMBL13638175

COc1ccc2c(c1)SC(Br)C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
ACHE P22303 1/20 0.41
SNCA P37840 1/20 0.40
HTT P42858 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP19A1 P11511 1/20 0.37
DRD1 P21728 1/20 0.37
DRD5 P21918 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
RYR2 Q92736 1/20 0.36
CA2 P00918 1/20 0.36
KYAT1 Q16773 1/20 0.36
KYAT3 Q6YP21 1/20 0.36

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
SCHEMBL29698855 0.83 KDM4E (0.43) KDM4EALDH1A1DRD2DRD3ACHE
SCHEMBL630847 0.81 KDM4E (0.62) KDM4EALDH1A1DRD2DRD3ACHE
SCHEMBL13638177 0.71 KDM4E (0.39) KDM4EALDH1A1DRD2DRD3ACHE
SCHEMBL13638214 0.68 SLC6A2 (0.39) KDM4EALDH1A1DRD2DRD3ACHE
SCHEMBL13847659 0.67 KDM4E (0.58) KDM4EALDH1A1DRD2DRD3ACHE
SCHEMBL7590712 0.66 SMN1; SMN2 (0.42) KDM4EALDH1A1ACHEHTTMAOA
SCHEMBL10651592 0.66 KDM4E (0.60) KDM4EDRD2DRD3SNCAHTT
SCHEMBL13799409 0.64 DRD2 (0.56) DRD2DRD3ACHECYP19A1DRD1
SCHEMBL14279806 0.64 DRD2 (0.56) DRD2DRD3ACHECYP19A1DRD1
SCHEMBL16233623 0.64 DRD2 (0.56) DRD2DRD3ACHECYP19A1DRD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286863-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES MERCK PATENT GESELLSCHAFT (DE) 2009-11-19 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 (1 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-20090286863-A1 SULFAMATOBENZOTHIOPHENE DERIVATIVES SULT1A1, SULT1E1, SULT2A1 KDM4E 1985/4885ALDH1A1 79/4885DRD2 3483/4885

“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.