SCHEMBL2825283

SCHEMBL2825283

CN(C)Cc1ncc(C(=O)Oc2ccccc2)n1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 3/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 5/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ACKR3 P25106 1/20 0.37
GRM5 P41594 1/20 0.36
MEN1 O00255 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL2823208 0.85 ALDH1A1 (0.37) ALDH1A1ALOX15LMNANPSR1RAB9A
SCHEMBL2825380 0.80 SMN1; SMN2 (0.46) ALDH1A1ALOX15LMNANPSR1RAB9A
SCHEMBL2827374 0.79 ALDH1A1 (0.45) ALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2823116 0.78 ALDH1A1 (0.38) ALDH1A1ALOX15LMNANPSR1KMT2A
SCHEMBL2825357 0.76 CYP2C19 (0.45) ALDH1A1LMNANPC1KMT2AMAPT
SCHEMBL2408791 0.68 MAPT (0.44) ALDH1A1ALOX15LMNANPSR1RAB9A
SCHEMBL31633533 0.67 GRM5 (0.45) ALDH1A1ALOX15LMNANPSR1RAB9A
SCHEMBL21318232 0.67 SMN1; SMN2 (0.57) ALDH1A1RAB9ANPC1KMT2APKM
SCHEMBL22036337 0.66 MAPT (0.41) ALDH1A1ALOX15KMT2AMAPTMEN1
SCHEMBL2827377 0.66 SMN1; SMN2 (0.41) ALDH1A1ALOX15LMNANPSR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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.