SCHEMBL5503064

SCHEMBL5503064

O=Cc1ccc2nccc(OCC(F)(F)F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.43
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 3/20 0.35
ALOX15 P16050 2/20 0.35
HSD17B10 Q99714 2/20 0.35
USP2 O75604 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
THRB P10828 1/20 0.35
G6PD P11413 1/20 0.35
CASP1 P29466 1/20 0.35
FDPS P14324 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
CNR1 P21554 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
SCHEMBL28597905 0.82 FDPS (0.41) APPALDH1A1POLBKMT2AKDM4E
SCHEMBL368529 0.81 ALDH1A1 (0.53) ALDH1A1L3MBTL1KDM4EMAPTFDPS
SCHEMBL360437 0.79 ALDH1A1 (0.53) ALDH1A1KDM4EMAPTFDPSHPGD
SCHEMBL30224890 0.78 SLC22A12 (0.47) APPALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL23992896 0.78 SLC22A12 (0.47) APPALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL5500810 0.78 FDPS (0.50) ALDH1A1MAPTFDPSSMN1; SMN2LMNA
SCHEMBL5503519 0.78 FDPS (0.43) ALDH1A1L3MBTL1MAPTFDPSSMN1; SMN2
SCHEMBL30061224 0.78 KDR (0.38) APPALDH1A1L3MBTL1POLBKMT2A
SCHEMBL5502302 0.76 KMT2A (0.42) ALDH1A1L3MBTL1POLBKMT2AKDM4E
SCHEMBL14437307 0.76 KMT2A (0.49) ALDH1A1L3MBTL1POLBKMT2AKDM4E

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-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US disclosed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED 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-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CDK1, CDK14, CDK17 APP 4866/4885ALDH1A1 3777/4885L3MBTL1 1361/4885

“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.