SCHEMBL5505645

SCHEMBL5505645

Nc1cc(O)c2cc(Br)ccc2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.52
HTT P42858 1/20 0.50
BCHE P06276 5/20 0.44
ACHE P22303 5/20 0.44
GRIN1 Q05586 5/20 0.44
GRIN2A Q12879 5/20 0.44
MPO P05164 1/20 0.43
ADRB2 P07550 1/20 0.43
PABPC1 P11940 1/20 0.42
GAA P10253 4/20 0.41
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
ADORA2A P29274 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NT5E P21589 1/20 0.40
LMNA P02545 1/20 0.40
P4HB P07237 1/20 0.40

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
SCHEMBL15472860 0.81 GAA (0.47) BACE1HTTACHEGAAALDH1A1
SCHEMBL6089328 0.81 HTT (0.44) HTTBCHEACHEGRIN1GRIN2A
SCHEMBL4818109 0.78 BACE1 (0.52) BACE1HTTBCHEACHEGRIN1
SCHEMBL3268543 0.78 ACHE (0.45) BACE1BCHEACHEGRIN1GRIN2A
SCHEMBL11399020 0.78 BACE1 (0.52) BACE1HTTBCHEACHEGRIN1
SCHEMBL23412886 0.78 NT5E (0.60) BACE1HTTBCHEACHEGRIN1
SCHEMBL29923741 0.78 ALDH1A1 (0.55) HTTMPOGAAALDH1A1RXFP1
SCHEMBL4966064 0.78 ALDH1A1 (0.55) HTTMPOGAAALDH1A1RXFP1
SCHEMBL28707703 0.76 HTT (0.41) HTTMPOGAAALDH1A1RXFP1
SCHEMBL9039085 0.75 ALDH1A1 (0.48) HTTGAAALDH1A1RXFP1KDM4E

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
CN-101018785-A Thiazolinone 2-substituted quinolines HOFFMANN LA ROCHE (CH) 2007-08-15 CN disclosed
US-7241893-B2 Thiazolinone 2-substituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241893-B2 Thiazolinone 2-substituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-10 US disclosed
US-7241893-B2 Thiazolinone 2-substituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-10 US disclosed
EP-1791836-A1 THIAZOLINONE 2-SUBSTITUTED QUINOLINES F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
US-20060063804-A1 Thiazolinone 2-substituted quinolines CHEN LI 2006-03-23 US disclosed
WO-2006029863-A1 THIAZOLINONE 2-SUBSTITUTED 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-20060063804-A1 Thiazolinone 2-substituted quinolines CDK1, CDK17, CDK12 BACE1 4294/4885HTT 3724/4885BCHE 4560/4885

“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.