SCHEMBL6791339

SCHEMBL6791339

CCCCN(CCCC)c1ccc(C=C2SC(=S)N(CC(=O)NS(C)(=O)=O)C2=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.50
▸ ATM Q13315 1/20 0.50
▸ MEN1 O00255 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ PTPN12 Q05209 1/20 0.48
▸ PTPN22 Q9Y2R2 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ AKR1B1 P15121 2/20 0.46
▸ MMP3 P08254 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ MMP13 P45452 1/20 0.46
▸ PPARG P37231 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ DNM1 Q05193 1/20 0.44

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
SCHEMBL6791336 1.00 KMT2A (0.50) KMT2AATMMEN1L3MBTL1PTPN12
SCHEMBL6789990 0.89 KMT2A (0.48) KMT2AATMMEN1L3MBTL1PTPN12
SCHEMBL6789993 0.89 KMT2A (0.48) KMT2AATMMEN1L3MBTL1PTPN12
SCHEMBL6793426 0.89 KMT2A (0.53) KMT2AATMMEN1L3MBTL1PTPN12
SCHEMBL6793431 0.89 KMT2A (0.53) KMT2AATMMEN1L3MBTL1PTPN12
SCHEMBL6787171 0.88 KMT2A (0.48) KMT2AATMMEN1L3MBTL1PTPN12
SCHEMBL6787173 0.88 KMT2A (0.48) KMT2AATMMEN1L3MBTL1PTPN12
SCHEMBL6885013 0.87 PTPN12 (0.64) KMT2APTPN12PTPN22NPSR1AKR1B1
SCHEMBL6885016 0.87 PTPN12 (0.64) KMT2APTPN12PTPN22NPSR1AKR1B1
SCHEMBL6794341 0.87 KMT2A (0.47) KMT2AATMMEN1L3MBTL1PTPN12

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 KMT2A 4348/4885ATM 4141/4885MEN1 360/4885

“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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