SCHEMBL2823116

SCHEMBL2823116

CN(C)Cc1ncc(C(=O)O)n1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 3/20 0.38
LMNA P02545 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.34
NR1H4 Q96RI1 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
GPR35 Q9HC97 1/20 0.31
MCL1 Q07820 1/20 0.31
GRN P28799 1/20 0.31
SORT1 Q99523 1/20 0.31
F10 P00742 2/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 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
SCHEMBL2825380 0.82 SMN1; SMN2 (0.46) ALDH1A1ALOX15LMNANPSR1KDM4E
SCHEMBL25269324 0.80 ALDH1A1 (0.41) ALDH1A1ALOX15LMNANPSR1KDM4E
SCHEMBL14038235 0.80 ALOX15 (0.55) ALDH1A1ALOX15LMNANPSR1KDM4E
SCHEMBL2825323 0.79 ALOX15 (0.38) ALDH1A1ALOX15LMNANPSR1KDM4E
SCHEMBL25269986 0.79 ALDH1A1 (0.40) ALDH1A1ALOX15LMNANPSR1KDM4E
SCHEMBL2825283 0.78 ALDH1A1 (0.40) ALDH1A1ALOX15LMNANPSR1HSD17B10
SCHEMBL8654020 0.77 ALOX15 (0.57) ALDH1A1ALOX15LMNANPSR1KDM4E
SCHEMBL14012153 0.76 LMNA (0.38) ALDH1A1ALOX15LMNANPSR1HSD17B10
SCHEMBL2825362 0.76 ALDH1A1 (0.44) ALDH1A1ALOX15LMNANPSR1KDM4E
SCHEMBL2825371 0.72 HRH3 (0.45) ALDH1A1KDM4EL3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1989139-B Benzothiazole derivatives HOFFMANN LA ROCHE 2010-05-12 CN claimed
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
CN-1989139-A Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2007-06-27 CN 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
CN-1989139-B Benzothiazole derivatives HOFFMANN LA ROCHE 2010-05-12 CN disclosed
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
CN-1989139-A Benzothiazole derivatives HOFFMANN LA ROCHE (CH) 2007-06-27 CN 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 ALDH1A1 146/4885ALOX15 625/4885LMNA 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.