SCHEMBL2856586

SCHEMBL2856586

Fc1ccc(-n2nnnc2C2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
ALDH1A1 P00352 3/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
MAPT P10636 2/20 0.39
KCNH2 Q12809 1/20 0.39
PRCP P42785 1/20 0.38
MAPK14 Q16539 2/20 0.38
TSHR P16473 1/20 0.38
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PTGS2 P35354 3/20 0.37

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
SCHEMBL20752065 0.89 TP53 (0.48) TP53ALDH1A1MAPTPRCPTSHR
SCHEMBL2859000 0.85 HTT (0.44) ALDH1A1MAPTTSHR
Hydrochloric Acid SCHEMBL28829510 0.84 HTT (0.43) ALDH1A1MAPTTSHR
SCHEMBL2709001 0.82 MAPT (0.57) TP53ALDH1A1MAPTTSHRPTGS2
SCHEMBL13135670 0.81 TP53 (0.51) TP53MAPTPRCPPTGS2
SCHEMBL14999330 0.76 KCNH2 (0.43) TP53ALDH1A1MAPTKCNH2TSHR
SCHEMBL16845861 0.73 KCNH2 (0.44) MKNK1MKNK2KCNH2MAPK14HTR1A
SCHEMBL8533114 0.73 ALDH1A1 (0.47) TP53ALDH1A1MAPT
Hydrochloric Acid SCHEMBL16827934 0.72 KCNH2 (0.43) MKNK1MKNK2KCNH2MAPK14HTR1A
SCHEMBL6623342 0.72 ALDH1A1 (0.53) ALDH1A1MAPTTSHRHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed
US-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORPORATION (JP) 2007-11-08 US disclosed
CN-100341862-C Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORP (JP) 2007-10-10 CN disclosed
CN-1606549-A Thiazolidine derivative and medical application thereof MITSUBISHI PHARMA CORP (JP) 2005-04-13 CN disclosed
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2004-12-23 US disclosed
EP-1426366-A1 THIAZOLIDINE DERIVATIVE AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2004-06-09 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-20070259880-A1 THIAZOLIDINE DERIVATIVES AND MEDICINAL USE THEREOF DPP4, DPP7, DPP3 TP53 3969/4885ALDH1A1 148/4885MKNK1 1975/4885
US-20040259883-A1 Thiazolidine derivative and medicinal use thereof DPP4, DPP7, DPP3 TP53 4239/4885ALDH1A1 31/4885MKNK1 2094/4885

“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.