SCHEMBL5454963

SCHEMBL5454963

Nc1ccc(CN2C(=O)CSC2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.70
GSK3B P49841 3/20 0.70
POLB P06746 2/20 0.65
HDAC1 Q13547 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
ALDH1A1 P00352 5/20 0.51
PIM1 P11309 1/20 0.50
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
RECQL P46063 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.43
PPARG P37231 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7252535 0.91 GSK3A (0.82) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL5454906 0.84 GSK3A (0.72) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL5462888 0.83 GSK3A (0.70) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL1555025 0.83 GSK3A (0.70) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL6692164 0.83 GSK3A (0.70) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL4324858 0.83 GSK3A (0.70) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL338442 0.82 GSK3A (1.00) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL5782807 0.81 GSK3A (0.67) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL5457409 0.80 GSK3A (0.81) GSK3AGSK3BPOLBHDAC1HDAC6
SCHEMBL3029649 0.80 GSK3A (0.66) GSK3AGSK3BPOLBHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 EP disclosed
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
US-6531604-B2 Useful as medicines having an osteogenesis promoting effect and chondrogensis promoting effect. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-11 US disclosed
US-20020128308-A1 Benzothiepine derivatives, their production and use YASUMA TSUNEO (JP) 2002-09-12 US disclosed
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP disclosed
US-6355672-B1 BONE DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-12 US disclosed
EP-1103552-A1 BENZOTHIEPIN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-05-30 EP 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-20020128308-A1 Benzothiepine derivatives, their production and use APP, BMP1, BACE1 GSK3A 1765/4885GSK3B 1206/4885POLB 3851/4885
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 GSK3A 2857/4885GSK3B 2838/4885POLB 3236/4885

“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.