SCHEMBL5509527

SCHEMBL5509527

O=C1N=C(NCc2cccs2)S/C1=C\Cc1ccc2nccc(N3CCOCC3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GAA P10253 3/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP1A2 P05177 4/20 0.37
CYP2C19 P33261 3/20 0.37
FYN P06241 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CLK4 Q9HAZ1 4/20 0.33
CYP3A4 P08684 3/20 0.33
CYP2D6 P10635 3/20 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
SCHEMBL14437241 0.87 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2TSHRNPC1
SCHEMBL5510799 0.83 CLK4 (0.38) ALDH1A1TSHRNPC1ALOX15HSD17B10
SCHEMBL5503592 0.82 CLK4 (0.42) ALDH1A1MAPTSMN1; SMN2TSHRALOX15
SCHEMBL5502564 0.81 CLK4 (0.38) ALDH1A1MAPTTSHRALOX15HSD17B10
SCHEMBL5509144 0.80 EGFR (0.40) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5504200 0.79 MAPK1 (0.36) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL5505043 0.79 CLK4 (0.36) ALDH1A1MAPTSMN1; SMN2TSHRNPC1
SCHEMBL5507768 0.79 CLK4 (0.36) ALDH1A1MAPTTSHRALOX15HSD17B10
SCHEMBL5507148 0.78 CCNB2 (0.38) ALDH1A1TSHRNPC1CYP1A2CYP2C19
SCHEMBL14437203 0.70 CDK1 (0.40) ALDH1A1TSHRNPC1HSD17B10CYP1A2

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
US-7253285-B2 Thiazolinone 4-monosubstituted quinolines HOFFMANN-LA ROCHE INC. (US) 2007-08-07 US claimed
EP-1797085-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-20 EP claimed
US-20060063805-A1 Thiazolinone 4-monosubstituted quinolines CHEN LI 2006-03-23 US claimed
WO-2006029861-A1 THIAZOLINONE 4-MONOSUBSTITUTED QUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO claimed
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 ALDH1A1 3777/4885MAPT 2496/4885SMN1; SMN2 3097/4885

“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.