SCHEMBL3883281

SCHEMBL3883281

CCOC(=O)c1cnc2ccc(C=O)cc2c1OCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
ALDH1A1 P00352 3/20 0.55
MAPK1 P28482 2/20 0.47
MAPT P10636 7/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
ATM Q13315 2/20 0.45
KDM4E B2RXH2 2/20 0.45
TP53 P04637 1/20 0.44
MAPK10 P53779 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NMT1 P30419 1/20 0.44
PKM P14618 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
SCHEMBL4594354 0.85 MEN1 (0.50) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL3891632 0.82 MEN1 (0.57) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL4586486 0.81 MAPT (0.45) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL5504475 0.79 KMT2A (0.62) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL3881601 0.79 TSHR (0.44) MEN1KMT2AALDH1A1MAPTL3MBTL1
SCHEMBL4587457 0.77 MEN1 (0.59) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL3883366 0.75 SRC (0.41) ALDH1A1
SCHEMBL3887464 0.75 ALDH1A1 (0.40) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL4586473 0.75 MEN1 (0.51) MEN1KMT2AALDH1A1MAPK1MAPT
SCHEMBL4001073 0.74 ALDH1A1 (0.58) MEN1KMT2AALDH1A1MAPTLMNA

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 7 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
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 MEN1 1351/4885KMT2A 611/4885ALDH1A1 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.