SCHEMBL5503550

SCHEMBL5503550

CCOc1cc(NC(C)=O)nc2ccc(C=C3SC(NCCC4CCOCC4)=NC3=O)cc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CISD1 Q9NZ45 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 10/20 0.35
BRD4 O60885 1/20 0.35
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PRMT3 O60678 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL14452282 1.00 CISD1 (0.38) CISD1MEN1KMT2AGAAHPGD
SCHEMBL14452274 0.93 CISD1 (0.39) CISD1MEN1KMT2AGAAHPGD
SCHEMBL14452289 0.87 CISD1 (0.41) CISD1MEN1KMT2AGAAHPGD
SCHEMBL5502878 0.87 CISD1 (0.41) CISD1MEN1KMT2AGAAHPGD
SCHEMBL5502873 0.87 CISD1 (0.41) CISD1MEN1KMT2AGAAHPGD
SCHEMBL5503961 0.84 CISD1 (0.42) CISD1MEN1KMT2AGAAHPGD
SCHEMBL5503965 0.84 CISD1 (0.42) CISD1MEN1KMT2AGAAHPGD
SCHEMBL14452278 0.84 CISD1 (0.42) CISD1MEN1KMT2AGAAHPGD
SCHEMBL14452290 0.84 CISD1 (0.37) CISD1MEN1KMT2AGAAHPGD
SCHEMBL5499019 0.79 CISD1 (0.40) CISD1MEN1KMT2AGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-7241893-B2 Thiazolinone 2-substituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-20060063804-A1 Thiazolinone 2-substituted quinolines CHEN LI 2006-03-23 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-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.