SCHEMBL2825323

SCHEMBL2825323

COCCN(C)Cc1ncc(C(=O)O)n1C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
KAT2B Q92831 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
F10 P00742 1/20 0.33
GRM2 Q14416 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KDR P35968 1/20 0.32
HCAR3 P49019 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PDE1B Q01064 1/20 0.31

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
SCHEMBL2827377 0.88 SMN1; SMN2 (0.41) ALOX15ALDH1A1LMNANPSR1PDCD1
SCHEMBL2823208 0.83 ALDH1A1 (0.37) ALOX15ALDH1A1LMNANPSR1KAT2B
SCHEMBL2823116 0.79 ALDH1A1 (0.38) ALOX15ALDH1A1LMNANPSR1F10
SCHEMBL2825362 0.76 ALDH1A1 (0.44) ALOX15ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL25269324 0.71 ALDH1A1 (0.41) ALOX15ALDH1A1LMNANPSR1KDM4E
SCHEMBL14038235 0.71 ALOX15 (0.55) ALOX15ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL2825380 0.70 SMN1; SMN2 (0.46) ALOX15ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL25269986 0.70 ALDH1A1 (0.40) ALOX15ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL8654020 0.68 ALOX15 (0.57) ALOX15ALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL14012153 0.67 LMNA (0.38) ALOX15ALDH1A1LMNANPSR1HCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773827-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-02-17 EP claimed
US-7371749-B2 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1773827-A1 BENZOTHIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-18 EP claimed
US-20060019949-A1 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2006-01-26 US claimed
WO-2006008041-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-26 WO claimed
EP-1773827-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-02-17 EP disclosed
EP-1773827-B1 BENZOTHIAZOLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-02-17 EP disclosed
US-7371749-B2 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371749-B2 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
US-7371749-B2 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1773827-A1 BENZOTHIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2007-04-18 EP disclosed
US-20060019949-A1 Benzothiazole derivatives HOFFMANN-LA ROCHE INC. 2006-01-26 US disclosed
WO-2006008041-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-26 WO disclosed
WO-2006008041-A1 BENZOTHIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-01-26 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-20060019949-A1 Benzothiazole derivatives CNR2, CNR1, CHRNA2 ALOX15 625/4885ALDH1A1 146/4885LMNA 3704/4885

“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.