SCHEMBL3568768

SCHEMBL3568768

CCOC(=O)N1CCC(Nc2nc3ccccc3s2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.64
MAPT P10636 3/20 0.64
NPC1 O15118 2/20 0.64
GAA P10253 2/20 0.64
POLB P06746 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 2/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
RXFP1 Q9HBX9 1/20 0.59
NOS2 P35228 1/20 0.58
SSTR5 P35346 5/20 0.57
PDE10A Q9Y233 3/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.54
MAPK1 P28482 2/20 0.54
ALDH1A1 P00352 1/20 0.54
TSHR P16473 1/20 0.54
ATM Q13315 1/20 0.54

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
SCHEMBL9774735 0.86 NOS2 (0.53) RAB9AMAPTNPC1GAAPOLB
SCHEMBL4715553 0.86 CCNA2 (0.56) RAB9AMAPTNPC1GAAPOLB
SCHEMBL3569862 0.85 KDM4E (0.59) MAPTSMN1; SMN2KDM4EHPGDNOS2
SCHEMBL3578949 0.84 NOS2 (0.61) MAPTPOLBSMN1; SMN2KDM4EHPGD
SCHEMBL16538487 0.83 PDE10A (0.54) RAB9AMAPTNPC1GAASMN1; SMN2
SCHEMBL13563374 0.83 NPC1 (0.58) RAB9AMAPTNPC1GAAPOLB
SCHEMBL10892748 0.83 RAB9A (0.60) RAB9AMAPTNPC1GAAPOLB
Hydrochloric Acid SCHEMBL9774607 0.83 NOS2 (0.60) MAPTPOLBSMN1; SMN2KDM4EHPGD
Bromide SCHEMBL10368788 0.82 RAB9A (0.59) RAB9AMAPTNPC1GAAPOLB
Bromide SCHEMBL9774868 0.82 SMN1; SMN2 (0.57) RAB9AMAPTNPC1GAAPOLB

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
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
US-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 US 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 RAB9A 4431/4885MAPT 3021/4885NPC1 3153/4885

“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.