SCHEMBL2260452

SCHEMBL2260452

COC(=O)c1ccc2c(c1)C(c1ccccc1SC)=CCC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PDK2 Q15119 2/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ PTPRC P08575 1/20 0.38
▸ PTPRF P10586 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CDC25B P30305 1/20 0.38
▸ TRPA1 O75762 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ HTT P42858 1/20 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
SCHEMBL13384629 0.86 IDO1 (0.32) SMN1; SMN2GAARAB9A
SCHEMBL13384523 0.85 MAPT (0.37) SMN1; SMN2GAARAB9AL3MBTL1KDM4E
SCHEMBL12365069 0.84 PDK2 (0.43) SMN1; SMN2GAAPDK2L3MBTL1KDM4E
SCHEMBL12364981 0.84 PDK2 (0.43) RAB9APDK2L3MBTL1KDM4EALDH1A1
SCHEMBL12365000 0.83 MAPK14 (0.43) GAAPDK2L3MBTL1KDM4EALDH1A1
SCHEMBL12389756 0.83 MAPT (0.45) SMN1; SMN2GAARAB9APDK2L3MBTL1
SCHEMBL12364995 0.83 PDK2 (0.45) SMN1; SMN2RAB9APDK2L3MBTL1KDM4E
SCHEMBL12365476 0.82 PDK2 (0.42) PDK2L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL2259460 0.82 PTGS2 (0.47) RAB9APDK2L3MBTL1PTPRCPTPRF
SCHEMBL12365063 0.81 PDK2 (0.41) PDK2L3MBTL1KDM4EALDH1A1HPGD

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
US-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — US disclosed
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — 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 (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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E SMN1; SMN2 3728/4885GAA 916/4885RAB9A 430/4885

“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.

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