SCHEMBL5023508

SCHEMBL5023508

COc1ccc(N(C(=O)c2ccc(Cl)cc2Cl)c2nc3ccc([N+](=O)[O-])cc3s2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYGL P06737 1/20 0.47
MAPT P10636 5/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 2/20 0.42
PTGS2 P35354 2/20 0.42
HTT P42858 3/20 0.41
MAPK1 P28482 2/20 0.41
DCLK1 O15075 1/20 0.40
FES P07332 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40
MAP4K2 Q12851 1/20 0.40
NTRK3 Q16288 1/20 0.40
HIPK4 Q8NE63 1/20 0.40

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
SCHEMBL5023445 0.91 MAPT (0.46) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5022901 0.89 MAPT (0.47) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5016977 0.88 DCLK1 (0.42) PYGLMAPTLMNAALDH1A1MEN1
SCHEMBL5023546 0.85 KDM4E (0.51) MAPTLMNAMEN1KMT2APTGS2
SCHEMBL5023069 0.84 MAPT (0.49) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5027357 0.83 KDM4E (0.42) MAPTLMNAMEN1KMT2ADCLK1
SCHEMBL5022960 0.82 KDM4E (0.42) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL5016974 0.81 KDM4E (0.51) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL14365370 0.80 DCLK1 (0.42) MAPTLMNAMEN1KMT2APOLB
Dimethylamine SCHEMBL5016988 0.80 DCLK1 (0.42) MAPTLMNAMEN1KMT2ADCLK1

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-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP claimed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US claimed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US claimed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP claimed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO claimed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 US claimed
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 EP disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-7297707-B2 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. (US) 2007-11-20 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
US-20070021478-A1 Benzothiazolyl derivatives NETTEKOVEN MATTHIAS H 2007-01-25 US disclosed
EP-1638556-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
WO-2005000301-A1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-06 WO disclosed
US-20040266845-A1 Benzothiazolyl derivatives HOFFMANN-LA ROCHE INC. 2004-12-30 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 (2 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-20070021478-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 PYGL 4343/4885MAPT 3262/4885LMNA 3666/4885
US-20040266845-A1 Benzothiazolyl derivatives CNR1, CNR2, GPR119 PYGL 3945/4885MAPT 3619/4885LMNA 4004/4885

“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.