SCHEMBL5505672

SCHEMBL5505672

CCOc1cc(N)nc2ccc(C=C3SC(NCCc4cccc(F)c4)=NC3=O)cc12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.46
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 1/20 0.41
XDH P47989 1/20 0.39
NOS1 P29475 3/20 0.36
NOS3 P29474 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 2/20 0.35
POLB P06746 1/20 0.35
CSNK2A2 P19784 1/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL5505668 1.00 CISD1 (0.46) CISD1MEN1KMT2AGAAXDH
SCHEMBL14452267 1.00 CISD1 (0.46) CISD1MEN1KMT2AGAAXDH
SCHEMBL5505339 0.88 CISD1 (0.48) CISD1MEN1KMT2AGAAXDH
SCHEMBL14437310 0.88 CISD1 (0.48) CISD1MEN1KMT2AGAAXDH
SCHEMBL5505342 0.88 CISD1 (0.48) CISD1MEN1KMT2AGAAXDH
SCHEMBL3862750 0.84 CISD1 (0.44) CISD1MEN1KMT2AGAAXDH
SCHEMBL3862753 0.84 CISD1 (0.44) CISD1MEN1KMT2AGAAXDH
SCHEMBL13897315 0.84 CISD1 (0.44) CISD1MEN1KMT2AGAAXDH
SCHEMBL3868935 0.83 CISD1 (0.48) CISD1MEN1KMT2AGAAXDH
SCHEMBL3864350 0.83 CISD1 (0.48) CISD1MEN1KMT2AGAAXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101018785-A Thiazolinone 2-substituted quinolines HOFFMANN LA ROCHE (CH) 2007-08-15 CN claimed
US-7241893-B2 Thiazolinone 2-substituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-10 US claimed
EP-1791836-A1 THIAZOLINONE 2-SUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-06 EP claimed
US-20060063804-A1 Thiazolinone 2-substituted quinolines CHEN LI 2006-03-23 US claimed
WO-2006029863-A1 THIAZOLINONE 2-SUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO claimed
CN-101018785-A Thiazolinone 2-substituted quinolines HOFFMANN LA ROCHE (CH) 2007-08-15 CN disclosed
US-7241893-B2 Thiazolinone 2-substituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-10 US disclosed
EP-1791836-A1 THIAZOLINONE 2-SUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
US-20060063804-A1 Thiazolinone 2-substituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029863-A1 THIAZOLINONE 2-SUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 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-20060063804-A1 Thiazolinone 2-substituted quinolines CDK1, CDK17, CDK12 CISD1 1028/4885MEN1 1507/4885KMT2A 647/4885

“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.