SCHEMBL20869643

SCHEMBL20869643

CCCCN1C(=O)/C(=C/c2ccccc2)SC1=S

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 4/20 0.68
MAOA P21397 3/20 0.68
ALDH1A1 P00352 3/20 0.66
MAOB P27338 2/20 0.66
NPSR1 Q6W5P4 1/20 0.61
KMT2A Q03164 7/20 0.59
MAPT P10636 5/20 0.59
MEN1 O00255 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
LMNA P02545 2/20 0.59
MAPK1 P28482 2/20 0.59
HTT P42858 2/20 0.59
ATM Q13315 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
GAA P10253 1/20 0.59
PTPN12 Q05209 2/20 0.58
PTPN7 P35236 1/20 0.58
GPR35 Q9HC97 1/20 0.58
PTPN22 Q9Y2R2 1/20 0.58

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
SCHEMBL10715160 0.93 MAOA (0.75) CISD1MAOAALDH1A1MAOBNPSR1
SCHEMBL10487963 0.93 MAOA (0.75) CISD1MAOAALDH1A1MAOBNPSR1
SCHEMBL15761669 0.86 MAOA (0.56) CISD1MAOAALDH1A1MAOBKMT2A
SCHEMBL14560445 0.86 MAOA (0.65) CISD1MAOAALDH1A1MAOBKMT2A
SCHEMBL24129903 0.86 CISD1 (0.67) CISD1MAOAALDH1A1MAOBNPSR1
SCHEMBL2447131 0.86 CISD1 (0.67) CISD1MAOAALDH1A1MAOBNPSR1
SCHEMBL2447134 0.86 CISD1 (0.67) CISD1MAOAALDH1A1MAOBNPSR1
SCHEMBL13726431 0.85 MEN1 (0.67) MAOAALDH1A1MAOBKMT2AMAPT
SCHEMBL1655605 0.85 SENP8 (0.63) MAOAALDH1A1MAOBKMT2AMAPT
SCHEMBL13726429 0.85 MEN1 (0.67) MAOAALDH1A1MAOBKMT2AMAPT

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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2019-04-04 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-20190099453-A1 MEDICAMENT FOR LIVER REGENERATION AND FOR TREATMENT OF LIVER FAILURE PYGL, HNF4A, ATF1 CISD1 3219/4885MAOA 2252/4885ALDH1A1 1437/4885

“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.