SCHEMBL3881601

SCHEMBL3881601

COC(=O)c1cnc2ccc(C=O)cc2c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HTT P42858 1/20 0.44
ALDH1A1 P00352 13/20 0.44
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HSP90AA1 P07900 1/20 0.44
NPSR1 Q6W5P4 2/20 0.38
CYP3A4 P08684 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NUDT1 P36639 1/20 0.37
AOX1 Q06278 1/20 0.37
TRIM24 O15164 1/20 0.37
ALDH5A1 P51649 1/20 0.37

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
SCHEMBL3884256 0.88 LMNA (0.44) TSHRHTTALDH1A1MAPTHPGD
SCHEMBL3883176 0.87 KDM4E (0.45) TSHRALDH1A1KDM4E
SCHEMBL3883577 0.85 PDE4B (0.39) TSHRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL14452541 0.82 ALDH1A1 (0.53) TSHRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL3891379 0.81 TSHR (0.46) TSHRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL26965935 0.80 LMNA (0.49) TSHRHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL3883281 0.79 MEN1 (0.55) ALDH1A1MAPTHPGDNPSR1KDM4E
SCHEMBL5514790 0.77 KDM4E (0.50) TSHRHTTALDH1A1MAPTHPGD
SCHEMBL3880333 0.75 ALDH1A1 (0.37) TSHRALDH1A1MAPTSMN1; SMN2HPGD
SCHEMBL18373091 0.74 ALDH1A1 (0.55) TSHRALDH1A1MAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 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-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 TSHR 3125/4885HTT 3838/4885ALDH1A1 3840/4885

“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.