SCHEMBL3569862

SCHEMBL3569862

CCOC(=O)N1CCC(Nc2nc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
MEN1 O00255 3/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 2/20 0.59
LMNA P02545 1/20 0.59
MAPK1 P28482 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
NOS2 P35228 3/20 0.59
NOS1 P29475 2/20 0.59
HCRTR1 O43613 2/20 0.59
HCRTR2 O43614 2/20 0.59
PTPN1 P18031 1/20 0.58
SSTR5 P35346 1/20 0.57
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
ALDH1A1 P00352 2/20 0.52

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
SCHEMBL3568768 0.85 RAB9A (0.64) KDM4EMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL12965878 0.84 PTPN1 (0.59) KDM4EMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL9774735 0.80 NOS2 (0.53) KDM4EMAPTSMN1; SMN2MAPK1NOS2
SCHEMBL1121549 0.80 PCSK9 (0.56) KDM4EMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3578252 0.78 SSTR5 (0.59) KDM4EMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL3661107 0.77 SSTR5 (0.55) KDM4EHCRTR1HCRTR2SSTR5CASP3
SCHEMBL13563393 0.77 SSTR5 (0.53) KDM4EMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL4243029 0.76 HCRTR1 (0.63) HCRTR1HCRTR2SSTR5
SCHEMBL3656983 0.76 HCRTR1 (0.63) HCRTR1HCRTR2SSTR5
SCHEMBL3578949 0.76 NOS2 (0.61) KDM4EMEN1MAPTKMT2ASMN1; SMN2

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 5 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
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 KDM4E 3736/4885MEN1 1588/4885MAPT 3021/4885

“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.