SCHEMBL3945844

SCHEMBL3945844

CCOC(=O)c1ccc(C(=O)C=Cc2ccc(SC)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
LMNA P02545 4/20 0.72
KDM4E B2RXH2 2/20 0.72
POLB P06746 1/20 0.72
NPSR1 Q6W5P4 1/20 0.72
KMT2A Q03164 4/20 0.66
MEN1 O00255 3/20 0.66
ALDH1A1 P00352 3/20 0.66
RAB9A P51151 2/20 0.66
GAA P10253 2/20 0.66
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
NPC1 O15118 1/20 0.64
NFKB1 P19838 1/20 0.64
HTT P42858 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL3945839 1.00 MAPT (0.72) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL9915661 0.85 MAPT (0.87) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL11815668 0.85 MAPT (0.87) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL11815663 0.85 MAPT (0.87) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL30384212 0.85 MAPT (0.68) MAPTLMNANPSR1KMT2AMEN1
SCHEMBL9338253 0.85 MAPT (0.71) MAPTLMNAKDM4EPOLBNPSR1
SCHEMBL31233150 0.85 MAOB (0.58) MAPTLMNAPOLBNPSR1KMT2A
SCHEMBL9338258 0.85 MAPT (0.71) MAPTLMNAKDM4EPOLBNPSR1
Hydrochloric Acid SCHEMBL11816321 0.84 MAPT (0.84) MAPTLMNAKDM4EPOLBNPSR1
Hydrochloric Acid SCHEMBL11816315 0.84 MAPT (0.84) MAPTLMNAKDM4EPOLBNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA MAPT 163/4885LMNA 3334/4885KDM4E 3784/4885

“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.