SCHEMBL6786169

SCHEMBL6786169

CCCCN(CCCC)c1ccc(/C=C2\SC(=S)N(CCS(=O)(=O)NC(=O)c3ccccc3)C2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.47
▸ CISD1 Q9NZ45 2/20 0.46
▸ MAOA P21397 1/20 0.46
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ MAPT P10636 4/20 0.46
▸ PTPN12 Q05209 3/20 0.46
▸ PTPN7 P35236 2/20 0.46
▸ GPR35 Q9HC97 2/20 0.46
▸ PTPN22 Q9Y2R2 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ TDP1 Q9NUW8 3/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL6786181 1.00 PAX8 (0.47) PAX8CISD1MAOAKMT2AMEN1
SCHEMBL6798462 0.98 PAX8 (0.47) PAX8CISD1MAOAKMT2AMEN1
SCHEMBL6798466 0.98 PAX8 (0.47) PAX8CISD1MAOAKMT2AMEN1
SCHEMBL6788442 0.92 FFAR1 (0.50) KMT2AMEN1MAPTPTPN12PTPN7
SCHEMBL6788437 0.92 FFAR1 (0.50) KMT2AMEN1MAPTPTPN12PTPN7
SCHEMBL6789677 0.90 FFAR1 (0.49) KMT2AMEN1MAPTPTPN12PTPN7
SCHEMBL6789690 0.90 FFAR1 (0.49) KMT2AMEN1MAPTPTPN12PTPN7
SCHEMBL6792721 0.87 FFAR1 (0.44) PAX8MAOAKMT2AMEN1MAPT
SCHEMBL6792723 0.87 FFAR1 (0.44) PAX8MAOAKMT2AMEN1MAPT
SCHEMBL6789175 0.86 AKR1B1 (0.51) PAX8CISD1MAOAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192144-A1 RHODANINE DERIVATIVES AND THEIR USE IN INHIBITING AND IMAGING AMYLOIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 — — EP claimed
WO-2000076988-A1 RHODANINE DERIVATIVES AND THEIR USE IN INHIBITING AND IMAGING AMYLOIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 — — WO claimed
US-20040197268-A1 Method of imaging amyloid deposits using substituted rhodanine derivatives AUGELLI-SZAFRAN CORINNE ELIZAB (US) 2004-10-07 — — US disclosed
EP-1192144-A1 RHODANINE DERIVATIVES AND THEIR USE IN INHIBITING AND IMAGING AMYLOIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 — — EP disclosed
WO-2000076988-A1 RHODANINE DERIVATIVES AND THEIR USE IN INHIBITING AND IMAGING AMYLOIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 — — 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-20040197268-A1 Method of imaging amyloid deposits using substituted rhodanine derivatives APP, PSEN1, PSEN2 PAX8 4275/4885CISD1 993/4885MAOA 239/4885

“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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